Thanks so much. I try it. Best
On Wed, Feb 3, 2016 at 2:14 AM, Jia Chen <[email protected]> wrote: > When you run pw.x, use commend like that: pw.x -pw2casino > Moreover, you need a file named pw2casino.dat in current directory. > In that file, you would have something like following if you would like > coefficient in text format > &inputpp > blip_convert=.false. > blip_binary=.false. > blip_single_prec=.false. > blip_multiplicity=1.d0 > n_points_for_test=0 > / > After, you will find coefficients in a large file named prefix.pwfn.data > You also can find details about pw2casino in the manual of casino. > > Cheers > Jia > > On Tue, Feb 2, 2016 at 5:02 PM, Eliya Asmani <[email protected]> wrote: > >> Thanks, but I need them in reciprocal space. >> Can you explain me more about pw2casino? >> >> On Wed, Feb 3, 2016 at 1:20 AM, Lorenzo Paulatto < >> [email protected]> wrote: >> >>> You can also use the tool wfck2r.x from the PP directory, which would >>> write >>> out the wavefunctions in real space >>> >>> >>> >>> -- >>> Dr. Lorenzo Paulatto >>> IdR @ IMPMC -- CNRS & Université Paris 6 >>> +33 (0)1 44 275 084 / skype: paulatz >>> http://www.impmc.upmc.fr/~paulatto/ >>> 23-24/4é16 Boîte courrier 115 >>> 4 place Jussieu 75252 Paris Cédex 05 >>> >>> >>> _______________________________________________ >>> 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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