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[abinit-forum] coefficients of wavefunction


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  • From: <zyzhang@pub.iams.sinica.edu.tw>
  • To: forum@abinit.org
  • Subject: [abinit-forum] coefficients of wavefunction
  • Date: Mon, 26 May 2008 10:32:00 +0200

Dear all users:

How to obtain the wavefunction from _WFK file ??
I've known cut3d can help me to do this , but I don't understand the data I
get
after
using cut3d is coefficients of wavefunction or wavefunction itself ??

Besides, the binary codes in _WFK contains planewaves coefficients of all
the wavefunctions of certain nth band and certain k-point. Dose any program
transform this unformatted data file into formatted data file I can read ,
and
by which we don't utilize the cut3d ??? Thank you.



bset regards



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