On Friday, February 24, 2017 10:09:00 AM CET alberto wrote: > I have a question about the projections of band structure with *PROJWFC. > *what basis set is used for the creation of the projections of the bands > (e.g., double zeta, triple zeta, etc.)? In particular my model have got Sn > and I.
Dear Alberto, projwfc.x projects on the atomic wavefunctions that are included in the pesudopotential file. Check the header of the file to have more details. kind regards -- Dr. Lorenzo Paulatto IdR @ IMPMC -- CNRS & Université Paris 6 phone: +33 (0)1 442 79822 / skype: paulatz www: http://www-int.impmc.upmc.fr/~paulatto/ mail: 23-24/423 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
