[Pw_forum] Thank You : Re: Phonons with non-collinear magnetism ? (Dal Corso Andrea)

[sonu kumar]

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/
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