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- From: <zyzhang@pub.iams.sinica.edu.tw>
- To: forum@abinit.org
- Subject: [abinit-forum] wffile.F90 files
- Date: Mon, 2 Jun 2008 05:44:02 +0200
dear users:
In the file ' wffile.F90 ' , " fofr(:,n1,n2,n3) " is the output data of
_WFK file after using cut3d .fofr(1,n1,n2,n3) = real part , fofr(2,n1,n2,n3) =
imaginary part
the comment in this program says the fofr(:,n1,n2,n3) is the wavefunction.
I wonder that fofr is value of wavefunction on each grid point in real space
or
coefficient of planewave on each reciprocal lattce G ???
I have obfuscation with these two things for a long time.
which statement is correct?? Thank you all
best regards
- [abinit-forum] wffile.F90 files, zyzhang, 06/02/2008
- Re: [abinit-forum] wffile.F90 files, lan haiping, 06/02/2008
- [abinit-forum] super cell howto?, Toby D. Young, 06/04/2008
- Re: [abinit-forum] super cell howto?, Anglade Pierre-Matthieu, 06/04/2008
- [abinit-forum] super cell howto?, Toby D. Young, 06/04/2008
- Re: [abinit-forum] wffile.F90 files, lan haiping, 06/02/2008
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