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