Dear PWSCF developers:
I have a question on |psi|^2 when using projwfc.x and reading projwfc.f90:
Does |psi|^2 just denote the "Lowdin charge/net atomic charges" for specific
band at specific k point? And the "bonding charges" are not included, are'nt
they?
I guess so, because there is:
proj(nwfc,ibnd,ik)=ABS(proj0(nwfc,ibnd))**2
in projwfc.f90, am I right?
Maybe the questions on the calculations of Lowdin charge and PDOS have been
proposed so many times, but my question is somewhat specific and any reply can
help my understanding of the code.
I would like to highly appreciate any helpful comment!
PS: I cannot open the "TOOLs/search facility" on the homepage of PWSCF in
China, because if I click it, the page will jump to "Google". Is this normal?
It is not like this before. Is the "search facility" related with Google?
In addition, Google company has retreated out of the Inland of China to
Hongkong recently, and does this will affect our usage of "search facility"?
Best Wishes!
Yours Sincerely
L.F.Huang
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L.F.Huang(???) DFT and phonon physics
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Add: Research Laboratory for Computational Materials Sciences,
Instutue of Solid State Physics,the Chinese Academy of Sciences,
P.O.Box 1129, Hefei 230031, P.R.China
Tel: 86-551-5591464-328(office)
Fax: 86-551-5591434
Web: http://theory.issp.ac.cn (website of our theory group)
http://www.issp.ac.cn (website of our institute)
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