-Original Message-
From: Rajesh_Dutta
Sent: 2022年9月7日 14:50
To: Fanmiao Kong ; siesta-l@uam.es
Subject: Re: [SIESTA-L] [***Posible SPAM***] RE: number of k-points in denchar
Dear Fanmiao,
Many thanks for the information, I exactly needed thatinfo.
BTW, I was playing with different PP format (.psf
Dear Fanmiao,
Many thanks for the information, I exactly needed thatinfo.
BTW, I was playing with different PP format (.psf and .psml) to have a test on
result. Mg.psml downloaded from pseudo dojo through some following error:
Dear Rajesh,
For your first question, I think if you plot the wavefunction from
SystemLabel.bands.WFSX, then the answer is yes. The program Denchar plot the
wavefunctions of selected bands (controlled by options: WFS.Write.For.Bands,
WFS.Band.Min, WFS.Band.Max) for all the k points that you
