[Pw_forum] Fwd: Fourier component of charge density with and without the electric field

Mudit Dixit dixitmuditk at gmail.com
Sun Feb 9 09:08:44 CET 2014


Dear PW users,
 I am trying to calculate charge density difference (i.e. induced charge)
in presence of Electric Field(G111 direction) and absence of electric
filed.

My questions are following:
1. How apply electric filed in 111 direction.
2. How ρ(G111,E=X)-ρ(G111,E=0) give a number not an array on FFT grid.

Thanks a lot for your help.


Regards,
Mudit
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