[Pw_forum] bulk projected band structure

2011-04-29 Thread wenmei ming
attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110429/e71c4db2/attachment.htm

[Pw_forum] LO-TO splitting in dynmat.x

2011-04-29 Thread xirainbow
> ___ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- Hui Wang School of physics, Fudan University, Shanghai, China -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110429/16189fb3/attachment-0001.htm

[Pw_forum] LO-TO splitting in dynmat.x

2011-04-29 Thread xirainbow
== > > ___ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- Hui Wang School of physics, Fudan University, Shanghai, China -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110429/bd58dee3/attachment.htm

[Pw_forum] LO-TO splitting in dynmat.x

2011-04-29 Thread xirainbow
; > -- > > Hui Wang > School of physics, Fudan University, Shanghai, China > > ___ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- Hui Wang School of physics, Fudan University, Shanghai, China -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110429/02c19771/attachment.htm

[Pw_forum] LO-TO splitting in dynmat.x

2011-04-29 Thread xirainbow
.democritos.it/mailman/listinfo/pw_forum > > > > ___ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- Hui Wang School of

[Pw_forum] LO-TO splitting in dynmat.x

2011-04-29 Thread lfhuang
next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110429/a8de247b/attachment.htm

[Pw_forum] Oscillations in macroscopic average of VH+Vbare

2011-04-29 Thread Izaak Williamson
t part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110429/1496c877/attachment-0001.htm -- next part -- A non-text attachment was scrubbed... Name: 05.png Type: image/png Size: 22521 bytes Desc: not availab

[Pw_forum] LO-TO splitting in dynmat.x

2011-04-29 Thread xirainbow
_ Hui Wang School of physics, Fudan University, Shanghai, China -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110429/37e70259/attachment.htm

[Pw_forum] LO-TO splitting in dynmat.x

2011-04-29 Thread Stefano de Gironcoli
.in/ >>> >>> ___ >>> Pw_forum mailing list >>> Pw_forum at pwscf.org >>> http://www.democritos.it/mailman/listinfo/pw_forum >>> >>> >> >> -- >> >> Hui Wang >> School of physics, Fudan University, Shanghai, China >> >> ___ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://www.democritos.it/mailman/listinfo/pw_forum >> >> > > > ___ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110429/bc08b9ab/attachment.htm

[Pw_forum] LO-TO splitting in dynmat.x

2011-04-29 Thread xirainbow
-- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110429/4eb8746d/attachment.htm

[Pw_forum] LO-TO splitting in dynmat.x

2011-04-29 Thread xirainbow
_ Hui Wang School of physics, Fudan University, Shanghai, China -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110429/06c4a3f1/attachment.htm

[Pw_forum] LO-TO splitting in dynmat.x

2011-04-29 Thread lfhuang
91464-326(office) Fax: 86-551-5591434 Our group: http://theory.issp.ac.cn == -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110429/6b85809b/attachment.htm

[Pw_forum] phonon dispersion

2011-04-29 Thread tanyc...@gmail.com
o/pw_forum -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110429/7ed9e9a4/attachment-0001.htm -- next part -- A non-text attachment was scrubbed... Name: not available Type: image/jpeg Si

[Pw_forum] LO-TO splitting in dynmat.x

2011-04-29 Thread xirainbow
next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110429/43475390/attachment.htm

[Pw_forum] LO-TO splitting in dynmat.x

2011-04-29 Thread xirainbow
-- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110429/245b4fc0/attachment.htm

[Pw_forum] LO-TO splitting in dynmat.x

2011-04-29 Thread Eduardo Ariel Menendez Proupin
was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110429/7f1cc878/attachment.htm

[Pw_forum] LO-TO splitting in dynmat.x

2011-04-29 Thread sonu kumar
ent 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/20110429/2528e0c0/attachment.htm

[Pw_forum] Pw_forum Digest, Vol 46, Issue 89

2011-04-29 Thread sonu kumar
:-http://www.iitd.ac.in/ -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110429/56697c3e/attachment.htm

[Pw_forum] vdW functional not implemented for spin polarized runs

2011-04-29 Thread Duy Le
On Fri, Apr 29, 2011 at 3:49 AM, Stefano de Gironcoli wrote: > Dear all, > > ? ? I inquired Timo Thonhauser (now Wake Forest ?University), the main > character behind the vdW-DF functional implementation in Quantum > ESPRESSO, ?about the issue of the spin-polarized version of vdW-DF. > > I'm

[Pw_forum] vdW functional not implemented for spin polarized runs

2011-04-29 Thread Stefano de Gironcoli
Dear all, I inquired Timo Thonhauser (now Wake Forest University), the main character behind the vdW-DF functional implementation in Quantum ESPRESSO, about the issue of the spin-polarized version of vdW-DF. I'm reporting his opinion below: "In general, at the moment there exists NO

[Pw_forum] dos calculation

2011-04-29 Thread Paolo Giannozzi
On Apr 29, 2011, at 1:42 , wumindt2 wrote: > Since i didn't collect the wavefunctions, the wavefunction files > and the *.save file are in two different directory. > To do the dos calculation, i set the 'outdir' as the directory of > wavefunctions. But then i got an error saying that the *.save

[Pw_forum] LO-TO splitting in dynmat.x

2011-04-29 Thread Stefano de Gironcoli
rum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110429/093d10e5/attachment.htm

[Pw_forum] LO-TO splitting in dynmat.x

2011-04-29 Thread lfhuang
ubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110429/4de8c29b/attachment-0001.htm

[Pw_forum] Problems about QHA

2011-04-29 Thread GAO Zhe
Bahawalpur, Pakistan -- next part -- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110429/9c5a/attachment.htm

[Pw_forum] dos calculation

2011-04-29 Thread wumindt2
://www.democritos.it/pipermail/pw_forum/attachments/20110429/4c161836/attachment.htm

[Pw_forum] LO-TO splitting in dynmat.x

2011-04-29 Thread Eyvaz Isaev
itd.ac.in/ > >___ >Pw_forum mailing list >Pw_forum at pwscf.org >http://www.democritos.it/mailman/listinfo/pw_forum > > -- Hui Wang School of physics, Fudan University, Shanghai, China ------ next