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
