Thanks در تاریخ 22 مهٔ 2017 19:58، "shivam kansara" <[email protected]> نوشت:
Dear Nasim Ha Pl refer http://qe-forge.org/pipermail/pw_forum/2012-July/099147.html On Mon, May 22, 2017 at 7:47 PM, Nasim Ha <[email protected]> wrote: > Dear all, > I want to calculate charge density of lowest unoccupied (LUMO). At > first, I run pw.x and then run pp.x,but when I want to see plot of > charge density in xcrycden, it was got an error that it is out of > range. I use plot_num=10 in inputfile for pp.x. please help me. > lowest unoccupied level (ev):-0.9714 > highest occupied:-3.6955 > I set emin = -3.5561 and emax=-0.9514 > Thanks > > -- > N.H.Jazi > PhD student of Physics. > Physics Department,Central Tehran Branch,Islamic Azad > University,Tehran,88074907,Iran. > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- *With Regards* *Mr. Shivam Kansara* *E-mail: [email protected] <[email protected]>* *Ph.D.(Research Scholar), Department Of Applied Physics* *National Institute Of Technology, Surat, Gujarat.* _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
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