Hi, Take a look at $QE/atomic_doc/pseudo**, there are documents and examples for ld1.x
On Sat, Feb 28, 2009 at 8:57 PM, ziba zand <ziba.zand at gmail.com> wrote: > Dear all, > > I attempted to make an input file for ld1.x, but I wasn't successful. > Would you please send me an example of input file for it? > > Thanks in advance, > > Ziba > > > > > On Thu, Feb 26, 2009 at 12:01 PM, Gabriele Sclauzero <sclauzer at > sissa.it>wrote: > >> Dear Ziba >> >> ziba zand wrote: >> > Dear every one, >> > >> > I am trying to plot pseudopotential and wavefunction by information >> > which are existed in the xx.upf & xx.pwfn.data files. >> >> You can do a pseudopotential test calculation (iswitch.eq.2) with ld1.x >> (source code is in >> atomic/ directory). After the PP has been read by the program you can >> access all relevant >> data of the PP through internal variables of ld1 (see ld1inc module for >> the description). >> If you simply need wfcs, maybe they will be put in the .wfc .pwfc files, >> though not sure >> of that (please see files in atomic_doc/ for more precise information). >> >> HTH >> >> GS >> >> >> > Unfortunately I can't do it. >> > Would you please help me? >> > Thanks in advance. >> > >> > Yours, >> > Ziba >> >> Please specify your affiliation, thanks. >> >> > >> > >> > ------------------------------------------------------------------------ >> > >> > _______________________________________________ >> > Pw_forum mailing list >> > Pw_forum at pwscf.org >> > http://www.democritos.it/mailman/listinfo/pw_forum >> >> -- >> >> >> o ------------------------------------------------ o >> | Gabriele Sclauzero, PhD Student | >> | c/o: SISSA & CNR-INFM Democritos, | >> | via Beirut 2-4, 34014 Trieste (Italy) | >> | email: sclauzer at sissa.it | >> | phone: +39 040 3787 511 | >> | skype: gurlonotturno | >> o ------------------------------------------------ o >> _______________________________________________ >> 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 > > -- Hai-Ping Lan Department of Electronics , Peking University , Bejing, 100871 lanhaiping at gmail.com, hplan at pku.edu.cn -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090228/6928bffd/attachment.htm
