Dear All, ?Would you please let me know if it is possible that the kohn-Sham orbitals is written in cube format. I mean I need the PSI(r) in cube format not density. regards Fariba Nazari IASBS
> > Dear All, > I need to have a cube file including the Kohn-Sham??? > orbitals???. How I can produce it from the pwscf output. > Regards > Fariba Nazari > IASBS > > > > > > > > . > > -- > This message has been scanned for viruses and > dangerous content by MailScanner, and is > believed to be clean. > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be clean. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120629/2bc202b7/attachment.htm
