[Pw_forum] external electric field in atomic all-electron calculations

Fabio Eduardo fabio.campolim at gmail.com
Tue Feb 4 13:56:26 CET 2014

Dear PW users,

I would like to measure the effect of an external electrical field on the
wavefunctions of core electrons, like very small charge displacements.

I understand "atomic" calculates all-electron isolated atoms but I find no
options for external field on that one.

On the other hand, PW does include external field but as far as I know only
calculates (frozen-core) valence electron orbitals.

Is this correct? Any suggestions?

Thanks in advance,
Fabio Campolim
Ph.D. Student,
Nanosciences and Advanced Materials postgraduate program
UFABC - Universidade Federal do ABC, Brazil
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