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[abinit-forum] wffile.F90 files


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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



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