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some bugfixes and documentation
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@louisponet
louisponet committed Jun 16, 2021
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1 change: 1 addition & 0 deletions docs/make.jl
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Expand Up @@ -99,6 +99,7 @@ makedocs(
"Advanced Tutorial" => "guide/advanced_tutorial.md"
],
"Usage" => Any[
"guide/jobs.md",
"guide/pseudo.md",
],
# "Examples" => EXAMPLES,
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107 changes: 107 additions & 0 deletions docs/src/assets/job/Job2/Si.pdos_atm#1(Si)_wfc#1(s)
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# E (eV) ldos(E) pdos(E)
-3.973 0.133E+00 0.133E+00
-3.873 0.211E+00 0.211E+00
-3.773 0.309E+00 0.309E+00
-3.673 0.260E+00 0.260E+00
-3.573 0.308E+00 0.308E+00
-3.473 0.373E+00 0.373E+00
-3.373 0.215E+00 0.215E+00
-3.273 0.213E+00 0.213E+00
-3.173 0.268E+00 0.268E+00
-3.073 0.319E+00 0.319E+00
-2.973 0.948E-01 0.948E-01
-2.873 0.144E+00 0.144E+00
-2.773 0.317E+00 0.317E+00
-2.673 0.340E+00 0.340E+00
-2.573 0.424E+00 0.424E+00
-2.473 0.165E+00 0.165E+00
-2.373 0.659E-01 0.659E-01
-2.273 0.996E-01 0.996E-01
-2.173 0.327E-01 0.327E-01
-2.073 0.723E-01 0.723E-01
-1.973 0.920E-01 0.920E-01
-1.873 0.468E-01 0.468E-01
-1.773 0.640E-01 0.640E-01
-1.673 0.126E+00 0.126E+00
-1.573 0.195E+00 0.195E+00
-1.473 0.141E+00 0.141E+00
-1.373 0.550E-01 0.550E-01
-1.273 0.130E-01 0.130E-01
-1.173 0.544E-01 0.544E-01
-1.073 0.771E-01 0.771E-01
-0.973 0.178E-01 0.178E-01
-0.873 0.460E-01 0.460E-01
-0.773 0.200E+00 0.200E+00
-0.673 0.325E+00 0.325E+00
-0.573 0.357E+00 0.357E+00
-0.473 0.361E+00 0.361E+00
-0.373 0.315E+00 0.315E+00
-0.273 0.105E+00 0.105E+00
-0.173 0.344E-01 0.344E-01
-0.073 0.969E-01 0.969E-01
0.027 0.159E+00 0.159E+00
0.127 0.204E+00 0.204E+00
0.227 0.595E-01 0.595E-01
0.327 0.528E-02 0.528E-02
0.427 0.387E-01 0.387E-01
0.527 0.830E-01 0.830E-01
0.627 0.952E-01 0.952E-01
0.727 0.116E+00 0.116E+00
0.827 0.133E+00 0.133E+00
0.927 0.145E+00 0.145E+00
1.027 0.702E-01 0.702E-01
1.127 0.258E-01 0.258E-01
1.227 0.108E-01 0.108E-01
1.327 0.109E-01 0.109E-01
1.427 0.562E-01 0.562E-01
1.527 0.449E-01 0.449E-01
1.627 0.487E-01 0.487E-01
1.727 0.106E+00 0.106E+00
1.827 0.391E-01 0.391E-01
1.927 0.108E-01 0.108E-01
2.027 0.141E-01 0.141E-01
2.127 0.492E-01 0.492E-01
2.227 0.931E-01 0.931E-01
2.327 0.536E-01 0.536E-01
2.427 0.526E-01 0.526E-01
2.527 0.673E-01 0.673E-01
2.627 0.600E-01 0.600E-01
2.727 0.559E-01 0.559E-01
2.827 0.344E-01 0.344E-01
2.927 0.461E-01 0.461E-01
3.027 0.449E-01 0.449E-01
3.127 0.344E-01 0.344E-01
3.227 0.176E-01 0.176E-01
3.327 0.456E-01 0.456E-01
3.427 0.711E-01 0.711E-01
3.527 0.447E-01 0.447E-01
3.627 0.372E-01 0.372E-01
3.727 0.552E-01 0.552E-01
3.827 0.265E-01 0.265E-01
3.927 0.509E-02 0.509E-02
4.027 0.127E-01 0.127E-01
4.127 0.364E-01 0.364E-01
4.227 0.285E-01 0.285E-01
4.327 0.143E-01 0.143E-01
4.427 0.210E-01 0.210E-01
4.527 0.432E-01 0.432E-01
4.627 0.265E-01 0.265E-01
4.727 0.436E-02 0.436E-02
4.827 0.690E-02 0.690E-02
4.927 0.475E-02 0.475E-02
5.027 0.709E-03 0.709E-03
5.127 0.455E-02 0.455E-02
5.227 0.141E-01 0.141E-01
5.327 0.831E-02 0.831E-02
5.427 0.101E-01 0.101E-01
5.527 0.783E-02 0.783E-02
5.627 0.884E-03 0.884E-03
5.727 0.138E-04 0.138E-04
5.827 0.300E-07 0.300E-07
5.927 0.167E-09 0.167E-09
6.027 0.652E-09 0.652E-09
6.127 0.559E-09 0.559E-09
6.227 0.178E-09 0.178E-09
6.327 0.184E-10 0.184E-10
6.427 0.305E-12 0.305E-12
6.527 0.699E-15 0.699E-15
107 changes: 107 additions & 0 deletions docs/src/assets/job/Job2/Si.pdos_atm#1(Si)_wfc#2(p)
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# E (eV) ldos(E) pdos(E) pdos(E) pdos(E)
-3.973 0.543E-01 0.181E-01 0.181E-01 0.181E-01
-3.873 0.890E-01 0.297E-01 0.297E-01 0.297E-01
-3.773 0.135E+00 0.451E-01 0.451E-01 0.451E-01
-3.673 0.112E+00 0.375E-01 0.375E-01 0.375E-01
-3.573 0.134E+00 0.445E-01 0.445E-01 0.445E-01
-3.473 0.170E+00 0.566E-01 0.566E-01 0.566E-01
-3.373 0.918E-01 0.306E-01 0.306E-01 0.306E-01
-3.273 0.744E-01 0.248E-01 0.248E-01 0.248E-01
-3.173 0.919E-01 0.306E-01 0.306E-01 0.306E-01
-3.073 0.115E+00 0.384E-01 0.384E-01 0.384E-01
-2.973 0.367E-01 0.122E-01 0.122E-01 0.122E-01
-2.873 0.753E-01 0.251E-01 0.251E-01 0.251E-01
-2.773 0.170E+00 0.565E-01 0.565E-01 0.565E-01
-2.673 0.175E+00 0.585E-01 0.585E-01 0.585E-01
-2.573 0.204E+00 0.682E-01 0.682E-01 0.682E-01
-2.473 0.727E-01 0.242E-01 0.242E-01 0.242E-01
-2.373 0.246E-01 0.822E-02 0.822E-02 0.822E-02
-2.273 0.362E-01 0.121E-01 0.121E-01 0.121E-01
-2.173 0.129E-01 0.430E-02 0.430E-02 0.430E-02
-2.073 0.364E-01 0.121E-01 0.121E-01 0.121E-01
-1.973 0.468E-01 0.156E-01 0.156E-01 0.156E-01
-1.873 0.273E-01 0.910E-02 0.910E-02 0.910E-02
-1.773 0.395E-01 0.132E-01 0.132E-01 0.132E-01
-1.673 0.730E-01 0.243E-01 0.243E-01 0.243E-01
-1.573 0.102E+00 0.342E-01 0.342E-01 0.342E-01
-1.473 0.742E-01 0.247E-01 0.247E-01 0.247E-01
-1.373 0.374E-01 0.125E-01 0.125E-01 0.125E-01
-1.273 0.102E-01 0.341E-02 0.341E-02 0.341E-02
-1.173 0.446E-01 0.149E-01 0.149E-01 0.149E-01
-1.073 0.632E-01 0.211E-01 0.211E-01 0.211E-01
-0.973 0.176E-01 0.588E-02 0.588E-02 0.588E-02
-0.873 0.615E-01 0.205E-01 0.205E-01 0.205E-01
-0.773 0.259E+00 0.863E-01 0.863E-01 0.863E-01
-0.673 0.423E+00 0.141E+00 0.141E+00 0.141E+00
-0.573 0.452E+00 0.151E+00 0.151E+00 0.151E+00
-0.473 0.439E+00 0.146E+00 0.146E+00 0.146E+00
-0.373 0.347E+00 0.116E+00 0.116E+00 0.116E+00
-0.273 0.943E-01 0.314E-01 0.314E-01 0.314E-01
-0.173 0.383E-01 0.128E-01 0.128E-01 0.128E-01
-0.073 0.139E+00 0.462E-01 0.462E-01 0.462E-01
0.027 0.277E+00 0.922E-01 0.922E-01 0.922E-01
0.127 0.328E+00 0.109E+00 0.109E+00 0.109E+00
0.227 0.918E-01 0.306E-01 0.306E-01 0.306E-01
0.327 0.681E-02 0.227E-02 0.227E-02 0.227E-02
0.427 0.407E-01 0.136E-01 0.136E-01 0.136E-01
0.527 0.879E-01 0.293E-01 0.293E-01 0.293E-01
0.627 0.105E+00 0.351E-01 0.351E-01 0.351E-01
0.727 0.151E+00 0.504E-01 0.504E-01 0.504E-01
0.827 0.240E+00 0.799E-01 0.799E-01 0.799E-01
0.927 0.215E+00 0.715E-01 0.715E-01 0.715E-01
1.027 0.732E-01 0.244E-01 0.244E-01 0.244E-01
1.127 0.189E-01 0.629E-02 0.629E-02 0.629E-02
1.227 0.712E-02 0.237E-02 0.237E-02 0.237E-02
1.327 0.125E-01 0.418E-02 0.418E-02 0.418E-02
1.427 0.670E-01 0.223E-01 0.223E-01 0.223E-01
1.527 0.589E-01 0.196E-01 0.196E-01 0.196E-01
1.627 0.122E+00 0.407E-01 0.407E-01 0.407E-01
1.727 0.273E+00 0.909E-01 0.909E-01 0.909E-01
1.827 0.290E+00 0.966E-01 0.966E-01 0.966E-01
1.927 0.304E+00 0.101E+00 0.101E+00 0.101E+00
2.027 0.214E+00 0.714E-01 0.714E-01 0.714E-01
2.127 0.473E+00 0.158E+00 0.158E+00 0.158E+00
2.227 0.592E+00 0.197E+00 0.197E+00 0.197E+00
2.327 0.428E+00 0.143E+00 0.143E+00 0.143E+00
2.427 0.493E+00 0.164E+00 0.164E+00 0.164E+00
2.527 0.601E+00 0.200E+00 0.200E+00 0.200E+00
2.627 0.301E+00 0.100E+00 0.100E+00 0.100E+00
2.727 0.193E+00 0.643E-01 0.643E-01 0.643E-01
2.827 0.239E+00 0.798E-01 0.798E-01 0.798E-01
2.927 0.686E+00 0.229E+00 0.229E+00 0.229E+00
3.027 0.856E+00 0.285E+00 0.285E+00 0.285E+00
3.127 0.517E+00 0.172E+00 0.172E+00 0.172E+00
3.227 0.436E+00 0.145E+00 0.145E+00 0.145E+00
3.327 0.697E+00 0.232E+00 0.232E+00 0.232E+00
3.427 0.751E+00 0.250E+00 0.250E+00 0.250E+00
3.527 0.707E+00 0.236E+00 0.236E+00 0.236E+00
3.627 0.637E+00 0.212E+00 0.212E+00 0.212E+00
3.727 0.792E+00 0.264E+00 0.264E+00 0.264E+00
3.827 0.547E+00 0.182E+00 0.182E+00 0.182E+00
3.927 0.466E+00 0.155E+00 0.155E+00 0.155E+00
4.027 0.758E+00 0.253E+00 0.253E+00 0.253E+00
4.127 0.857E+00 0.286E+00 0.286E+00 0.286E+00
4.227 0.556E+00 0.185E+00 0.185E+00 0.185E+00
4.327 0.427E+00 0.142E+00 0.142E+00 0.142E+00
4.427 0.717E+00 0.239E+00 0.239E+00 0.239E+00
4.527 0.786E+00 0.262E+00 0.262E+00 0.262E+00
4.627 0.322E+00 0.107E+00 0.107E+00 0.107E+00
4.727 0.312E+00 0.104E+00 0.104E+00 0.104E+00
4.827 0.696E+00 0.232E+00 0.232E+00 0.232E+00
4.927 0.614E+00 0.205E+00 0.205E+00 0.205E+00
5.027 0.320E+00 0.107E+00 0.107E+00 0.107E+00
5.127 0.256E+00 0.854E-01 0.854E-01 0.854E-01
5.227 0.278E+00 0.928E-01 0.928E-01 0.928E-01
5.327 0.171E+00 0.571E-01 0.571E-01 0.571E-01
5.427 0.295E+00 0.982E-01 0.982E-01 0.982E-01
5.527 0.305E+00 0.102E+00 0.102E+00 0.102E+00
5.627 0.193E+00 0.642E-01 0.642E-01 0.642E-01
5.727 0.187E+00 0.624E-01 0.624E-01 0.624E-01
5.827 0.592E-01 0.197E-01 0.197E-01 0.197E-01
5.927 0.168E-01 0.559E-02 0.559E-02 0.559E-02
6.027 0.678E-01 0.226E-01 0.226E-01 0.226E-01
6.127 0.568E-01 0.189E-01 0.189E-01 0.189E-01
6.227 0.173E-01 0.576E-02 0.576E-02 0.576E-02
6.327 0.175E-02 0.584E-03 0.584E-03 0.584E-03
6.427 0.291E-04 0.969E-05 0.969E-05 0.969E-05
6.527 0.666E-07 0.222E-07 0.222E-07 0.222E-07
107 changes: 107 additions & 0 deletions docs/src/assets/job/Job2/Si.pdos_atm#2(Si)_wfc#1(s)
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# E (eV) ldos(E) pdos(E)
-3.973 0.134E+00 0.134E+00
-3.873 0.212E+00 0.212E+00
-3.773 0.311E+00 0.311E+00
-3.673 0.260E+00 0.260E+00
-3.573 0.309E+00 0.309E+00
-3.473 0.372E+00 0.372E+00
-3.373 0.215E+00 0.215E+00
-3.273 0.213E+00 0.213E+00
-3.173 0.268E+00 0.268E+00
-3.073 0.318E+00 0.318E+00
-2.973 0.936E-01 0.936E-01
-2.873 0.145E+00 0.145E+00
-2.773 0.317E+00 0.317E+00
-2.673 0.340E+00 0.340E+00
-2.573 0.424E+00 0.424E+00
-2.473 0.164E+00 0.164E+00
-2.373 0.662E-01 0.662E-01
-2.273 0.994E-01 0.994E-01
-2.173 0.323E-01 0.323E-01
-2.073 0.722E-01 0.722E-01
-1.973 0.919E-01 0.919E-01
-1.873 0.468E-01 0.468E-01
-1.773 0.645E-01 0.645E-01
-1.673 0.128E+00 0.128E+00
-1.573 0.195E+00 0.195E+00
-1.473 0.139E+00 0.139E+00
-1.373 0.546E-01 0.546E-01
-1.273 0.130E-01 0.130E-01
-1.173 0.545E-01 0.545E-01
-1.073 0.771E-01 0.771E-01
-0.973 0.178E-01 0.178E-01
-0.873 0.461E-01 0.461E-01
-0.773 0.200E+00 0.200E+00
-0.673 0.325E+00 0.325E+00
-0.573 0.357E+00 0.357E+00
-0.473 0.361E+00 0.361E+00
-0.373 0.315E+00 0.315E+00
-0.273 0.104E+00 0.104E+00
-0.173 0.344E-01 0.344E-01
-0.073 0.970E-01 0.970E-01
0.027 0.159E+00 0.159E+00
0.127 0.204E+00 0.204E+00
0.227 0.592E-01 0.592E-01
0.327 0.527E-02 0.527E-02
0.427 0.388E-01 0.388E-01
0.527 0.830E-01 0.830E-01
0.627 0.951E-01 0.951E-01
0.727 0.116E+00 0.116E+00
0.827 0.133E+00 0.133E+00
0.927 0.145E+00 0.145E+00
1.027 0.700E-01 0.700E-01
1.127 0.258E-01 0.258E-01
1.227 0.108E-01 0.108E-01
1.327 0.109E-01 0.109E-01
1.427 0.562E-01 0.562E-01
1.527 0.449E-01 0.449E-01
1.627 0.487E-01 0.487E-01
1.727 0.105E+00 0.105E+00
1.827 0.390E-01 0.390E-01
1.927 0.108E-01 0.108E-01
2.027 0.141E-01 0.141E-01
2.127 0.492E-01 0.492E-01
2.227 0.930E-01 0.930E-01
2.327 0.538E-01 0.538E-01
2.427 0.529E-01 0.529E-01
2.527 0.672E-01 0.672E-01
2.627 0.597E-01 0.597E-01
2.727 0.559E-01 0.559E-01
2.827 0.344E-01 0.344E-01
2.927 0.461E-01 0.461E-01
3.027 0.450E-01 0.450E-01
3.127 0.342E-01 0.342E-01
3.227 0.177E-01 0.177E-01
3.327 0.458E-01 0.458E-01
3.427 0.709E-01 0.709E-01
3.527 0.447E-01 0.447E-01
3.627 0.371E-01 0.371E-01
3.727 0.551E-01 0.551E-01
3.827 0.264E-01 0.264E-01
3.927 0.510E-02 0.510E-02
4.027 0.127E-01 0.127E-01
4.127 0.364E-01 0.364E-01
4.227 0.287E-01 0.287E-01
4.327 0.142E-01 0.142E-01
4.427 0.209E-01 0.209E-01
4.527 0.432E-01 0.432E-01
4.627 0.265E-01 0.265E-01
4.727 0.437E-02 0.437E-02
4.827 0.691E-02 0.691E-02
4.927 0.474E-02 0.474E-02
5.027 0.706E-03 0.706E-03
5.127 0.455E-02 0.455E-02
5.227 0.141E-01 0.141E-01
5.327 0.830E-02 0.830E-02
5.427 0.101E-01 0.101E-01
5.527 0.783E-02 0.783E-02
5.627 0.884E-03 0.884E-03
5.727 0.138E-04 0.138E-04
5.827 0.303E-07 0.303E-07
5.927 0.504E-09 0.504E-09
6.027 0.221E-08 0.221E-08
6.127 0.168E-08 0.168E-08
6.227 0.392E-09 0.392E-09
6.327 0.355E-10 0.355E-10
6.427 0.580E-12 0.580E-12
6.527 0.133E-14 0.133E-14
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