[Pw_forum] Error Installing XCrysden

2011-05-10 Thread Tone Kokalj
On Mon, 2011-05-09 at 14:13 -0500, swapnil chandratre wrote: > Hi, > > > I am trying to install XCrysden 1.5.23, i receive the error, > > > ./xcrysden: line 224: /home/./bin/xcrys: No such file or > directorym > what could be wrong. Please address next time such questions to xcrysden mail

[Pw_forum] optimizing of celldm(1) and celldm(3)

2011-05-10 Thread faride heydari
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[Pw_forum] SVN versus CVS

2011-05-10 Thread Paolo Giannozzi
On Tue, 2011-05-10 at 10:35 +0200, Suza W wrote: > I was able to download the CVS Version from the qe-forge site earlier. > Now that link is replaced by SVN. Are both versions updated each > night, in parallel ? development work goes on ONLY on the svn version. The cvs repository is no longer

[Pw_forum] SVN versus CVS

2011-05-10 Thread Suza W
pw_forum/attachments/20110510/7700ba42/attachment.htm

[Pw_forum] problems with variables in US pseudopotential generation

2011-05-10 Thread Lorenzo Paulatto
In data 10 maggio 2011 alle ore 00:45:35, Tram Bui ha scritto: > Dear Everyone, >In the pseudopotential generation input file, under &inputp, I > need to fill in the data for rcut (matching radius for norm-conserving) > and > rcutus (matching radius for Ultra soft PP). I have looked

[Pw_forum] problems with variables in US pseudopotential generation

2011-05-10 Thread Emine Kucukbenli
Dear Tram, rcut and rcutus are kept the same for norm conserving angular momentum channels (all channels in norm conserving pseudos or local channels in ultrasoft/paw) . There are many other working examples for US/PAW in pslibrary project. Try downloading from : http://qe-forge.org/projec

[Pw_forum] charge density

2011-05-10 Thread vicky singh
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/20110510/08e63f27/attachment.htm