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CASTEP error #24

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libaoyuzi opened this issue Oct 10, 2020 · 2 comments
Closed

CASTEP error #24

libaoyuzi opened this issue Oct 10, 2020 · 2 comments

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@libaoyuzi
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libaoyuzi commented Oct 10, 2020

Hi, jaroli ,
When I follow the example (Usage with CASTEP part) and use "./emc.py input_el NbFeSb.electrons.bands" to obtain the effective mass for the desired band, echo the error as belw:

./emc.py input_el NbFeSb.electrons.bands
Redirecting output to emcpy.out_1602333332
Traceback (most recent call last):
File "./emc.py", line 429, in
masses, vecs_cart, vecs_frac, vecs_n = get_eff_masses(m, basis)
NameError: name 'm' is not defined

All the files I used were obtained from "https://github.com/afonari/emc/tree/master/test/NbFeSb-CASTEP". Nothing has been changed to these files!!
I do not konw what causes this error, could you help me to solve it. @jaroli
Many thanks!

@afonari
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afonari commented Oct 14, 2020

What python version are you using? You need to use python2.

@libaoyuzi
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What python version are you using? You need to use python2.

Thanks for your quick reply, I used the older version. A little while ago, I employed python2 for calculating and it works.
Many thanks,
libaoyuzi.

@afonari afonari closed this as completed Oct 14, 2020
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