afonari / emc

Effective Mass Calculator for Semiconductors
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effective mass calculation using emc #33

Open Murari29 opened 2 years ago

Murari29 commented 2 years ago

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 expecting k point on the line 0 (3 floats), didn't get it, exiting..."

Here is my input file. 0.000 0.000 0.000 0.01 9 V 3.728230000 0.000000000 0.000000000 -1.864115000 3.228647180 0.000000000 0.000000000 0.000000000 20.000000000

Please help me out with this, is this error due to the first line? K points 0.000 0.000 0.000. If it is then what value should I put here.