Dear Robert Hembree, Thank you very much for your attention and guidance.
Regards Sadegh Ghaderzadeh Isfahan university of technology On Tue, Dec 30, 2014 at 9:44 AM, Robert Hembree <[email protected] > wrote: > Getting the expansion coefficients isn’t very difficult. I found the > easiest way for me was to use pw_export.x and then look at the resulting > xml file. If you dig through the pw_export.x code you can work out how to > access them more directly. > > > > Robert Hembree > > Quantum Theory Project > > > > *From:* [email protected] [mailto:[email protected]] *On > Behalf Of *Sadegh Ghaderzadeh > *Sent:* Tuesday, December 30, 2014 1:11 AM > *To:* PWSCF Forum > *Subject:* Re: [Pw_forum] Basis sets (plane wave) > > > > Dear Axel, > > Thanks for reply. > > You are right. So I should search for the expansion coefficients in the > output file, right? > > How can I find them in the output file? > > > > On Tue, Dec 30, 2014 at 8:57 AM, Axel Kohlmeyer <[email protected]> > wrote: > > > On Dec 30, 2014 5:54 AM, "Sadegh Ghaderzadeh" <[email protected]> > wrote: > > > > Dear QE users, > > > > I have a simple question. How can I find the file(s) containing basis > sets (plane waves)? I mean, where is the file in the installation directory? > > There is/are no such file(s). There is no need. The basis sets are > uniquely defined by the energy cutoff. > > Axel. > > > > > Thank in advance > > > > Sadegh Ghaderzadeh > > > > _______________________________________________ > > Pw_forum mailing list > > [email protected] > > http://pwscf.org/mailman/listinfo/pw_forum > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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