-
Notifications
You must be signed in to change notification settings - Fork 835
/
pymatgen.symmetry.kpath.html
505 lines (444 loc) · 47.7 KB
/
pymatgen.symmetry.kpath.html
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
<!DOCTYPE html>
<html class="writer-html5" lang="en" >
<head>
<meta charset="utf-8" /><meta name="generator" content="Docutils 0.18.1: http://docutils.sourceforge.net/" />
<meta name="viewport" content="width=device-width, initial-scale=1.0" />
<title>pymatgen.symmetry.kpath module — pymatgen 2023.5.10 documentation</title>
<link rel="stylesheet" href="_static/pygments.css" type="text/css" />
<link rel="stylesheet" href="_static/css/theme.css" type="text/css" />
<link rel="stylesheet" href="_static/css/custom.css" type="text/css" />
<link rel="canonical" href="https://pymatgen.orgpymatgen.symmetry.kpath.html"/>
<!--[if lt IE 9]>
<script src="_static/js/html5shiv.min.js"></script>
<![endif]-->
<script data-url_root="./" id="documentation_options" src="_static/documentation_options.js"></script>
<script src="_static/doctools.js"></script>
<script src="_static/sphinx_highlight.js"></script>
<script src="_static/js/theme.js"></script>
<link rel="index" title="Index" href="genindex.html" />
<link rel="search" title="Search" href="search.html" />
<link rel="next" title="pymatgen.symmetry.maggroups module" href="pymatgen.symmetry.maggroups.html" />
<link rel="prev" title="pymatgen.symmetry.groups module" href="pymatgen.symmetry.groups.html" />
<script src="https://ajax.googleapis.com/ajax/libs/jquery/3.6.1/jquery.min.js"></script>
<script type="text/javascript">
var _gaq = _gaq || [];
_gaq.push(['_setAccount', 'UA-33990148-1']);
_gaq.push(['_trackPageview']);
</script>
</head>
<body class="wy-body-for-nav">
<div class="wy-grid-for-nav">
<nav data-toggle="wy-nav-shift" class="wy-nav-side">
<div class="wy-side-scroll">
<div class="wy-side-nav-search" style="background: linear-gradient(0deg, rgba(23,63,162,1) 0%, rgba(0,70,192,1) 100%)" >
<a href="index.html">
</a>
<div class="version">
2023.5.10
</div>
<div role="search">
<form id="rtd-search-form" class="wy-form" action="search.html" method="get">
<input type="text" name="q" placeholder="Search docs" aria-label="Search docs" />
<input type="hidden" name="check_keywords" value="yes" />
<input type="hidden" name="area" value="default" />
</form>
</div>
</div><div class="wy-menu wy-menu-vertical" data-spy="affix" role="navigation" aria-label="Navigation menu">
<ul class="current">
<li class="toctree-l1"><a class="reference internal" href="introduction.html">Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="installation.html">Installation</a></li>
<li class="toctree-l1"><a class="reference internal" href="change_log.html">Change log</a></li>
<li class="toctree-l1"><a class="reference internal" href="compatibility.html">Compatibility</a></li>
<li class="toctree-l1"><a class="reference internal" href="contributing.html">Contributing</a></li>
<li class="toctree-l1"><a class="reference internal" href="usage.html">Usage</a></li>
<li class="toctree-l1"><a class="reference internal" href="team.html">Development Team</a></li>
<li class="toctree-l1"><a class="reference internal" href="references.html">References</a></li>
<li class="toctree-l1 current"><a class="reference internal" href="modules.html">API Docs</a><ul class="current">
<li class="toctree-l2 current"><a class="reference internal" href="pymatgen.html">pymatgen namespace</a><ul class="current">
<li class="toctree-l3 current"><a class="reference internal" href="pymatgen.html#subpackages">Subpackages</a><ul class="current">
<li class="toctree-l4"><a class="reference internal" href="pymatgen.alchemy.html">pymatgen.alchemy package</a></li>
<li class="toctree-l4"><a class="reference internal" href="pymatgen.analysis.html">pymatgen.analysis namespace</a></li>
<li class="toctree-l4"><a class="reference internal" href="pymatgen.apps.html">pymatgen.apps package</a></li>
<li class="toctree-l4"><a class="reference internal" href="pymatgen.cli.html">pymatgen.cli package</a></li>
<li class="toctree-l4"><a class="reference internal" href="pymatgen.command_line.html">pymatgen.command_line package</a></li>
<li class="toctree-l4"><a class="reference internal" href="pymatgen.core.html">pymatgen.core package</a></li>
<li class="toctree-l4"><a class="reference internal" href="pymatgen.electronic_structure.html">pymatgen.electronic_structure package</a></li>
<li class="toctree-l4"><a class="reference internal" href="pymatgen.entries.html">pymatgen.entries package</a></li>
<li class="toctree-l4"><a class="reference internal" href="pymatgen.ext.html">pymatgen.ext namespace</a></li>
<li class="toctree-l4"><a class="reference internal" href="pymatgen.io.html">pymatgen.io namespace</a></li>
<li class="toctree-l4"><a class="reference internal" href="pymatgen.optimization.html">pymatgen.optimization package</a></li>
<li class="toctree-l4"><a class="reference internal" href="pymatgen.phonon.html">pymatgen.phonon package</a></li>
<li class="toctree-l4 current"><a class="reference internal" href="pymatgen.symmetry.html">pymatgen.symmetry package</a></li>
<li class="toctree-l4"><a class="reference internal" href="pymatgen.transformations.html">pymatgen.transformations package</a></li>
<li class="toctree-l4"><a class="reference internal" href="pymatgen.util.html">pymatgen.util package</a></li>
<li class="toctree-l4"><a class="reference internal" href="pymatgen.vis.html">pymatgen.vis package</a></li>
</ul>
</li>
<li class="toctree-l3"><a class="reference internal" href="pymatgen.html#submodules">Submodules</a></li>
</ul>
</li>
</ul>
</li>
</ul>
</div>
</div>
</nav>
<section data-toggle="wy-nav-shift" class="wy-nav-content-wrap"><nav class="wy-nav-top" aria-label="Mobile navigation menu" style="background: linear-gradient(0deg, rgba(23,63,162,1) 0%, rgba(0,70,192,1) 100%)" >
<i data-toggle="wy-nav-top" class="fa fa-bars"></i>
<a href="index.html">pymatgen</a>
</nav>
<div class="wy-nav-content">
<div class="rst-content style-external-links">
<div role="navigation" aria-label="Page navigation">
<ul class="wy-breadcrumbs">
<li><a href="index.html" class="icon icon-home" aria-label="Home"></a></li>
<li class="breadcrumb-item"><a href="modules.html">pymatgen</a></li>
<li class="breadcrumb-item"><a href="pymatgen.html">pymatgen namespace</a></li>
<li class="breadcrumb-item"><a href="pymatgen.symmetry.html">pymatgen.symmetry package</a></li>
<li class="breadcrumb-item active">pymatgen.symmetry.kpath module</li>
<li class="wy-breadcrumbs-aside">
<a href="https://github.com/materialsproject/pymatgen/blob/master/docs_rst/pymatgen.symmetry.kpath.rst" class="fa fa-github"> Edit on GitHub</a>
</li>
</ul>
<hr/>
</div>
<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
<div itemprop="articleBody">
<section id="module-pymatgen.symmetry.kpath">
<span id="pymatgen-symmetry-kpath-module"></span><h1>pymatgen.symmetry.kpath module<a class="headerlink" href="#module-pymatgen.symmetry.kpath" title="Permalink to this heading"></a></h1>
<p>Provides classes for generating high-symmetry k-paths using different conventions.</p>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathBase">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">KPathBase</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">structure</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="pymatgen.core.structure.html#pymatgen.core.structure.Structure" title="pymatgen.core.structure.Structure"><span class="pre">Structure</span></a></span></em>, <em class="sig-param"><span class="n"><span class="pre">symprec</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0.01</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">angle_tolerance</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">5</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">atol</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1e-05</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">*</span></span><span class="n"><span class="pre">args</span></span></em>, <em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kwargs</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/kpath.py#L41-L132"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathBase" title="Permalink to this definition"></a></dt>
<dd><p>Bases: <code class="xref py py-class docutils literal notranslate"><span class="pre">object</span></code></p>
<p>This is the base class for classes used to generate high-symmetry
paths in reciprocal space (k-paths) for band structure calculations.</p>
<p>Args:
structure (Structure): Structure object.
symprec (float): Tolerance for symmetry finding.
angle_tolerance (float): Angle tolerance for symmetry finding.
atol (float): Absolute tolerance used to compare structures</p>
<blockquote>
<div><p>and determine symmetric equivalence of points and lines in the BZ.</p>
</div></blockquote>
<p><a href="#id1"><span class="problematic" id="id2">*</span></a>args: Other arguments supported by subclasses.
<a href="#id3"><span class="problematic" id="id4">**</span></a>kwargs: Other keyword arguments supported by subclasses.</p>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathBase.get_kpoints">
<span class="sig-name descname"><span class="pre">get_kpoints</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">line_density</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">20</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">coords_are_cartesian</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/kpath.py#L100-L132"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathBase.get_kpoints" title="Permalink to this definition"></a></dt>
<dd><p>Returns:
kpoints along the path in Cartesian coordinates
together with the critical-point labels.</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathBase.kpath">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">kpath</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/symmetry/kpath.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathBase.kpath" title="Permalink to this definition"></a></dt>
<dd><p>Returns:
The symmetry line path in reciprocal space</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathBase.lattice">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">lattice</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/symmetry/kpath.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathBase.lattice" title="Permalink to this definition"></a></dt>
<dd><p>Returns:
The real space lattice</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathBase.rec_lattice">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">rec_lattice</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/symmetry/kpath.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathBase.rec_lattice" title="Permalink to this definition"></a></dt>
<dd><p>Returns:
The reciprocal space lattice</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathBase.structure">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">structure</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/symmetry/kpath.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathBase.structure" title="Permalink to this definition"></a></dt>
<dd><p>Returns:
The input structure</p>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathLatimerMunro">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">KPathLatimerMunro</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">structure</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">has_magmoms</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">magmom_axis</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">symprec</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">0.01</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">angle_tolerance</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">5</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">atol</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1e-05</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/kpath.py#L1059-L2348"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathLatimerMunro" title="Permalink to this definition"></a></dt>
<dd><p>Bases: <a class="reference internal" href="#pymatgen.symmetry.kpath.KPathBase" title="pymatgen.symmetry.kpath.KPathBase"><code class="xref py py-class docutils literal notranslate"><span class="pre">KPathBase</span></code></a></p>
<p>This class looks for a path along high-symmetry lines in the
Brillouin zone. It is based on the method outlined in:
npj Comput Mater 6, 112 (2020). 10.1038/s41524-020-00383-7
The user should ensure that the unit cell of the input structure
is as reduced as possible, i.e. that there is no linear
combination of lattice vectors which can produce a vector of
lesser magnitude than the given set (this is required to
obtain the correct Brillouin zone within the current
implementation). This is checked during initialization and a
warning is issued if the condition is not fulfilled.
In the case of magnetic structures, care must also be taken to
provide the magnetic primitive cell (i.e. that which reproduces
the entire crystal, including the correct magnetic ordering,
upon application of lattice translations). There is no algorithm to</p>
<blockquote>
<div><p>check for this, so if the input structure is</p>
</div></blockquote>
<p>incorrect, the class will output the incorrect k-path without
any warning being issued.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>structure</strong> (<a class="reference internal" href="pymatgen.core.structure.html#pymatgen.core.structure.Structure" title="pymatgen.core.structure.Structure"><em>Structure</em></a>) – Structure object</p></li>
<li><p><strong>has_magmoms</strong> (<em>bool</em>) – Whether the input structure contains
magnetic moments as site properties with the key ‘magmom.’
Values may be in the form of 3-component vectors given in
the basis of the input lattice vectors, or as scalars, in
which case the spin axis will default to a_3, the third
real-space lattice vector (this triggers a warning).</p></li>
<li><p><strong>magmom_axis</strong> (<em>list</em><em> or </em><em>numpy array</em>) – 3-component vector specifying
direction along which magnetic moments given as scalars
should point. If all magnetic moments are provided as
vectors then this argument is not used.</p></li>
<li><p><strong>symprec</strong> (<em>float</em>) – Tolerance for symmetry finding</p></li>
<li><p><strong>angle_tolerance</strong> (<em>float</em>) – Angle tolerance for symmetry finding.</p></li>
<li><p><strong>atol</strong> (<em>float</em>) – Absolute tolerance used to determine symmetric
equivalence of points and lines in the BZ.</p></li>
</ul>
</dd>
</dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathLatimerMunro.LabelPoints">
<em class="property"><span class="pre">static</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">LabelPoints</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">index</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/kpath.py#L2278-L2312"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathLatimerMunro.LabelPoints" title="Permalink to this definition"></a></dt>
<dd><p>Axes used in generating labels for Latimer-Munro convention</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathLatimerMunro.LabelSymbol">
<em class="property"><span class="pre">static</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">LabelSymbol</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">index</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/kpath.py#L2314-L2348"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathLatimerMunro.LabelSymbol" title="Permalink to this definition"></a></dt>
<dd><p>Letters used in generating labels for the Latimer-Munro convention</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathLatimerMunro.mag_type">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">mag_type</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/symmetry/kpath.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathLatimerMunro.mag_type" title="Permalink to this definition"></a></dt>
<dd><p>Returns:
The type of magnetic space group as a string.
Current implementation does not distinguish
between types 3 and 4, so return value is ‘3/4’.
If has_magmoms is False, returns ‘0’.</p>
</dd></dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathSeek">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">KPathSeek</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">structure</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="pymatgen.core.structure.html#pymatgen.core.structure.Structure" title="pymatgen.core.structure.Structure"><span class="pre">Structure</span></a></span></em>, <em class="sig-param"><span class="n"><span class="pre">symprec</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0.01</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">angle_tolerance</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">5</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">atol</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1e-05</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">system_is_tri</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">True</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/kpath.py#L938-L1056"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathSeek" title="Permalink to this definition"></a></dt>
<dd><p>Bases: <a class="reference internal" href="#pymatgen.symmetry.kpath.KPathBase" title="pymatgen.symmetry.kpath.KPathBase"><code class="xref py py-class docutils literal notranslate"><span class="pre">KPathBase</span></code></a></p>
<p>This class looks for a path along high-symmetry lines in the Brillouin zone. It is based on
Hinuma, Y., Pizzi, G., Kumagai, Y., Oba, F., & Tanaka, I. (2017). Band structure diagram paths
based on crystallography. Computational Materials Science, 128, 140-184.
<a class="reference external" href="https://doi.org/10.1016/j.commatsci.2016.10.015">https://doi.org/10.1016/j.commatsci.2016.10.015</a>. It should be used with primitive structures that
comply with the definition given in the paper. The symmetry is determined by spglib using the
SpacegroupAnalyzer class. k-points are generated using the get_kpoints() method for the
reciprocal cell basis defined in the paper.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>structure</strong> (<a class="reference internal" href="pymatgen.core.structure.html#pymatgen.core.structure.Structure" title="pymatgen.core.structure.Structure"><em>Structure</em></a>) – Structure object</p></li>
<li><p><strong>symprec</strong> (<em>float</em>) – Tolerance for symmetry finding</p></li>
<li><p><strong>angle_tolerance</strong> (<em>float</em>) – Angle tolerance for symmetry finding.</p></li>
<li><p><strong>atol</strong> (<em>float</em>) – Absolute tolerance used to determine edge cases
for settings of structures.</p></li>
<li><p><strong>system_is_tri</strong> (<em>bool</em>) – Indicates if the system is time-reversal
invariant.</p></li>
</ul>
</dd>
</dl>
</dd></dl>
<dl class="py class">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathSetyawanCurtarolo">
<em class="property"><span class="pre">class</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">KPathSetyawanCurtarolo</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">structure</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference internal" href="pymatgen.core.structure.html#pymatgen.core.structure.Structure" title="pymatgen.core.structure.Structure"><span class="pre">Structure</span></a></span></em>, <em class="sig-param"><span class="n"><span class="pre">symprec</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">float</span></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">0.01</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">angle_tolerance</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">5</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">atol</span></span><span class="o"><span class="pre">=</span></span><span class="default_value"><span class="pre">1e-05</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/kpath.py#L135-L935"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathSetyawanCurtarolo" title="Permalink to this definition"></a></dt>
<dd><p>Bases: <a class="reference internal" href="#pymatgen.symmetry.kpath.KPathBase" title="pymatgen.symmetry.kpath.KPathBase"><code class="xref py py-class docutils literal notranslate"><span class="pre">KPathBase</span></code></a></p>
<p>This class looks for a path along high-symmetry lines in
the Brillouin zone.
It is based on Setyawan, W., & Curtarolo, S. (2010).
High-throughput electronic band structure calculations:
Challenges and tools. Computational Materials Science,
49(2), 299-312. doi:10.1016/j.commatsci.2010.05.010
It should be used with primitive structures that
comply with the definition given in the paper.
The symmetry is determined by spglib using the
SpacegroupAnalyzer class. The analyzer can be used to
produce the correct primitive structure with the method
get_primitive_standard_structure(international_monoclinic=False).
A warning will signal possible compatibility problems
with the given structure. k-points generated using the get_kpoints() method
are returned for the reciprocal cell basis defined in the paper.</p>
<p>Args:
structure (Structure): Structure object.
symprec (float): Tolerance for symmetry finding.
angle_tolerance (float): Angle tolerance for symmetry finding.
atol (float): Absolute tolerance used to compare the input</p>
<blockquote>
<div><p>structure with the one expected as primitive standard.
A warning will be issued if the cells don’t match.</p>
</div></blockquote>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.bcc">
<span class="sig-name descname"><span class="pre">bcc</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/kpath.py#L343-L355"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.bcc" title="Permalink to this definition"></a></dt>
<dd><p>BCC Path</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.bctet1">
<span class="sig-name descname"><span class="pre">bctet1</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">c</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">a</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/kpath.py#L377-L393"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.bctet1" title="Permalink to this definition"></a></dt>
<dd><p>BCT1 Path</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.bctet2">
<span class="sig-name descname"><span class="pre">bctet2</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">c</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">a</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/kpath.py#L395-L429"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.bctet2" title="Permalink to this definition"></a></dt>
<dd><p>BCT2 Path</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.conventional">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">conventional</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/symmetry/kpath.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.conventional" title="Permalink to this definition"></a></dt>
<dd><p>Returns:
The conventional cell structure</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.cubic">
<span class="sig-name descname"><span class="pre">cubic</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/kpath.py#L310-L322"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.cubic" title="Permalink to this definition"></a></dt>
<dd><p>CUB Path</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.fcc">
<span class="sig-name descname"><span class="pre">fcc</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/kpath.py#L324-L341"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.fcc" title="Permalink to this definition"></a></dt>
<dd><p>FCC Path</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.hex">
<span class="sig-name descname"><span class="pre">hex</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/kpath.py#L604-L622"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.hex" title="Permalink to this definition"></a></dt>
<dd><p>HEX Path</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.mcl">
<span class="sig-name descname"><span class="pre">mcl</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">b</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">c</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">beta</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/kpath.py#L673-L703"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.mcl" title="Permalink to this definition"></a></dt>
<dd><p>MCL Path</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.mclc1">
<span class="sig-name descname"><span class="pre">mclc1</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">a</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">b</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">c</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">alpha</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/kpath.py#L705-L739"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.mclc1" title="Permalink to this definition"></a></dt>
<dd><p>MCLC1 Path</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.mclc2">
<span class="sig-name descname"><span class="pre">mclc2</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">a</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">b</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">c</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">alpha</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/kpath.py#L741-L774"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.mclc2" title="Permalink to this definition"></a></dt>
<dd><p>MCLC2 Path</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.mclc3">
<span class="sig-name descname"><span class="pre">mclc3</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">a</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">b</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">c</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">alpha</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/kpath.py#L776-L811"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.mclc3" title="Permalink to this definition"></a></dt>
<dd><p>MCLC3 Path</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.mclc4">
<span class="sig-name descname"><span class="pre">mclc4</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">a</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">b</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">c</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">alpha</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/kpath.py#L813-L848"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.mclc4" title="Permalink to this definition"></a></dt>
<dd><p>MCLC4 Path</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.mclc5">
<span class="sig-name descname"><span class="pre">mclc5</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">a</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">b</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">c</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">alpha</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/kpath.py#L850-L889"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.mclc5" title="Permalink to this definition"></a></dt>
<dd><p>MCLC5 Path</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.orc">
<span class="sig-name descname"><span class="pre">orc</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/kpath.py#L431-L452"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.orc" title="Permalink to this definition"></a></dt>
<dd><p>ORC Path</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.orcc">
<span class="sig-name descname"><span class="pre">orcc</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">a</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">b</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">c</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/kpath.py#L567-L602"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.orcc" title="Permalink to this definition"></a></dt>
<dd><p>ORCC Path</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.orcf1">
<span class="sig-name descname"><span class="pre">orcf1</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">a</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">b</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">c</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/kpath.py#L454-L479"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.orcf1" title="Permalink to this definition"></a></dt>
<dd><p>ORFC1 Path</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.orcf2">
<span class="sig-name descname"><span class="pre">orcf2</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">a</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">b</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">c</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/kpath.py#L481-L509"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.orcf2" title="Permalink to this definition"></a></dt>
<dd><p>ORFC2 Path</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.orcf3">
<span class="sig-name descname"><span class="pre">orcf3</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">a</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">b</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">c</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/kpath.py#L511-L534"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.orcf3" title="Permalink to this definition"></a></dt>
<dd><p>ORFC3 Path</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.orci">
<span class="sig-name descname"><span class="pre">orci</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">a</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">b</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">c</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/kpath.py#L536-L565"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.orci" title="Permalink to this definition"></a></dt>
<dd><p>ORCI Path</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.prim">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">prim</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/symmetry/kpath.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.prim" title="Permalink to this definition"></a></dt>
<dd><p>Returns:
The primitive cell structure</p>
</dd></dl>
<dl class="py property">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.prim_rec">
<em class="property"><span class="pre">property</span><span class="w"> </span></em><span class="sig-name descname"><span class="pre">prim_rec</span></span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/symmetry/kpath.py"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.prim_rec" title="Permalink to this definition"></a></dt>
<dd><p>Returns:
The primitive reciprocal cell structure</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.rhl1">
<span class="sig-name descname"><span class="pre">rhl1</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">alpha</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/kpath.py#L624-L651"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.rhl1" title="Permalink to this definition"></a></dt>
<dd><p>RHL1 Path</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.rhl2">
<span class="sig-name descname"><span class="pre">rhl2</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">alpha</span></span></em><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/kpath.py#L653-L671"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.rhl2" title="Permalink to this definition"></a></dt>
<dd><p>RHL2 Path</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.tet">
<span class="sig-name descname"><span class="pre">tet</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/kpath.py#L357-L375"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.tet" title="Permalink to this definition"></a></dt>
<dd><p>TET Path</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.tria">
<span class="sig-name descname"><span class="pre">tria</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/kpath.py#L891-L912"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.tria" title="Permalink to this definition"></a></dt>
<dd><p>TRI1a Path</p>
</dd></dl>
<dl class="py method">
<dt class="sig sig-object py" id="pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.trib">
<span class="sig-name descname"><span class="pre">trib</span></span><span class="sig-paren">(</span><span class="sig-paren">)</span><a class="reference external" href="https://github.com/materialsproject/pymatgen/blob/v2023.5.10/pymatgen/core/../symmetry/kpath.py#L914-L935"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#pymatgen.symmetry.kpath.KPathSetyawanCurtarolo.trib" title="Permalink to this definition"></a></dt>
<dd><p>TRI1b Path</p>
</dd></dl>
</dd></dl>
</section>
</div>
</div>
<footer>
<hr/>
<div role="contentinfo">
<p>© Copyright 2011, Pymatgen Development Team.</p>
</div>
Built with <a href="https://www.sphinx-doc.org/">Sphinx</a> using a
<a href="https://github.com/readthedocs/sphinx_rtd_theme">theme</a>
provided by <a href="https://readthedocs.org">Read the Docs</a>.
</footer>
</div>
</div>
</section>
</div>
<script>
jQuery(function () {
SphinxRtdTheme.Navigation.enable(true);
});
</script>
<div class="footer">This page uses <a href="http://analytics.google.com/">
Google Analytics</a> to collect statistics. You can disable it by blocking
the JavaScript coming from www.google-analytics.com.
<script type="text/javascript">
(function() {
var ga = document.createElement('script');
ga.src = ('https:' == document.location.protocol ?
'https://ssl' : 'http://www') + '.google-analytics.com/ga.js';
ga.setAttribute('async', 'true');
document.documentElement.firstChild.appendChild(ga);
})();
</script>
</div>
</body>
</html>