afonari / emc

Effective Mass Calculator for Semiconductors
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regarding using emc #18

Open shrudhanu opened 6 years ago

shrudhanu commented 6 years ago

I need help regarding running the script. I created a folder which includes emc.py and the required inputs like KPOINTS and EIGENVAL files from my band structure calculations using VASP. I created an input file INPCAR in the format mentioned in README. Then I compiled the script (python emc.py) after which emcpy.out is generated. Am I going in right way? I am not knowing how to proceed. Kindly help me in this regard.