Dear Anne, I am not sure I understand what you actually expect. The electronic polarizability? (i.e. the dielecric constant such as probed by eels?) For that you would need a tddft calculation, which is not implemented in ph.x ... SB
On Sep 26, 2012, at 2:45 PM, anne etindele wrote: > Dear all > > I am trying to determine the frequency dependent polarisability of metals > like > Pt and Al using ph.x code. Here is the input I made for the case of Pt: > > phonons of pt at Gamma > &inputph > tr2_ph=1.0d-15, > trans=.false., > fpol=.true., > amass(1)=195.078, > prefix='Pt', > outdir='$TMP_DIR' > fildyn='pt.dynG', > / > 0.0 0.0 0.0 > > FREQUENCIES > 4 > 0.5d0 > 1.0d0 > 1.5d0 > 5.0d0 > > In the output file I don't have any value of polarizability. Do I need > to modify or to add another parameter? > > Anne Justine ETINDELE > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum --- Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center - Trieste http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype) La morale est une logique de l'action comme la logique est une morale de la pens?e - Jean Piaget -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120930/4b2fff1f/attachment.htm