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 > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090228/da69d083/attachment.htm
