[Pw_forum] how to investigate the electric field effect by pwscf

Paolo Giannozzi 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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