[Pw_forum] band structure of using electric field

Mahdi Faghih nasiri mahdi_fn109 at yahoo.com
Thu Mar 21 19:10:13 CET 2013


Dear all,

I have a question about: lelfield, use it to calculate the bandstructure of a system with Z direction have an electric field of 0.001 a.u.
I know I can use efield_cart(3)=0.001 for scf calculation by automatic generated k-mesh,
But for ‘bands’ calculation, with specified k points, how should I set efield to get band structure calculation with Z axis electric field = 0.001 au, x, y direction with 0 electric field?
Thanks,



Mahdi Faghih nasiri
MSC,
Guilan University,
Rasht, Iran.
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