I forgot to say "thank you" Thank You very much Sir and Prof. Andrea Dal Corso.
I am Very very Sorry for this late email. >What is implemented in PH is written at the beginning of the >PH/phonon.f90 routine and will be updated when new features will be >implemented. >! ... Presently implemented: >! ... dynamical matrix (q/=0) NC [4], US [4], PAW [4] >! ... dynamical matrix (q=0) NC [5], US [5], PAW [4] >! ... dielectric constant NC [5], US [5], PAW [4] >! ... born effective charges NC [5], US [5], PAW [4] >! ... polarizability (iu) NC [2], US [2] >! ... elctron-phonon NC [3], US [3] >! ... electro-optic NC [1] >! ... raman tensor NC [1] >! >! NC = norm conserving pseudopotentials >! US = ultrasoft pseudopotentials >! >PAW = projector augmented-wave >! [1] LDA, [2] [1]+GGA, [3] [2]+LSDA/sGGA, [4] >[3]+Spin-orbit/nonmagnetic, >! [5] [4]+Spin-orbit/magnetic >Noncollinear at gamma point should work. >Spin/orbit nonmagnetic should work at gamma and finite q. >Noncollinear magnetic at finite q is still experimental and there might >be cases in which it is not working. The phonon interpolation (matdyn in >particular) is not yet implemented in this case. >HTH >Andrea >Andrea Dal Corso Tel. 0039-040-3787428 >SISSA, Via Beirut 2/4 Fax. 0039-040-3787528 >34151 Trieste (Italy) e-mail: dalcorso at sissa.it -- Sonu Kumar Phd Student Physics Department Indian Institute of Technology Delhi-110016, India web:-http://www.iitd.ac.in/ -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100712/8bf236be/attachment.htm
