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 -- 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
