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afonari
Effective Mass Calculator for Semiconductors
Hello, I found this while calculating the effective mass using emc for my system. I have done the nscf calculation using the VASP and got the EIGENVAL file aslo. "Was...
Hi Alexandr, Thank you for creating this project. I was reading [Paper-03-18-2013](https://github.com/afonari/emc/blob/master/Paper-03-18-2013.pdf) about the theory, implementation and tests. For the numerical differentiation, I managed to find Eq.(6) for the second-order...
Could you please add quantum espresso support to this project? Regards, HY
when I use emc, I have a question. I don't know what kind of carriers I have calculated. In other word, how can l make sure which band I have...
I follow the step to run the emc.py input-file.But it shows a mistake.The error is here. nsgk114_KYF@gcn01:~/syd/electronic-mobility/LN/0.99/STA/BAND/test> emc.py input-file File "/home-gk/users/nsgk114_KYF/syd/emc-master/emc.py", line 183 print 'jacobi: [WARNING] Jacobi iteration did not...
Hello, afonari, When I used the emc.py script to calculate the effective mass of CH3NH3PbI3, I am confused that the effective mass (0)/(1)/(2) gradully increased with the step size from...
Edited the print functions to work with Python3, added `from __future__ import print_function` at the start to keep the Python2 compatibility, created an if case for CASTEP's KPOINTS file and...
Dear Alexandr Fonari, ``` I need to do effective mass calculation from spin-polarized band structure calculated by VASP. I downloaded program from your website. From README file I see there...
results
hello,I need your help,I use emc.py code with vasp and got result, but the result are different from others, I paste my result in bellow, the effective mass along three...
