[Pw_forum] how to investigate the electric field effect by pwscf
giannozz at nest.sns.it
Mon Nov 29 11:54:16 CET 2004
On Monday 29 November 2004 09:30, xywu wrote:
> How to use pwscf by density-functional perturbation theory
see documentaion for code "phonon"
> or self-consistent finite electric field
"true" finite field is not presently implemented. Somebody
promised an implementation months ago: I am still waiting.
What is implemented is the addition of a sawlike potential
that simulates the effect of the electric field in a supercell
(see the preceding message by Andrea)
Paolo Giannozzi e-mail: giannozz at nest.sns.it
Scuola Normale Superiore Phone: +39/050-509876, Fax:-563513
Piazza dei Cavalieri 7 I-56126 Pisa, Italy
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