[Pw_forum] Spin-orbit + electron-phonon?

[Paolo Giannozzi]

On Fri, 2014-08-01 at 15:34 +0000, Ijäs Mari wrote:

> I tried searching the forum, as well as looking at the beginning of ph.f90 file. 

there is no ph.f90 file. There is a phonon.f90 file, containing in 
the header the following lines:

  ! ... 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 [3]
  ! ... born effective charges    NC [5], US [5], PAW [3]
  ! ... polarizability (iu)       NC [2], US [2]
  ! ... electron-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 (experimental when available)
  !

> Is performing electron-phonon coupling calculations in a system with spin-orbit coupling possible?

no - P.

-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222