search

afonari / emc

Effective Mass Calculator for Semiconductors
Other
103 stars 59 forks source link

CASTEP error #24

Closed libaoyuzi closed 4 years ago

libaoyuzi commented 4 years ago

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 commented 4 years ago

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

libaoyuzi commented 4 years ago

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.