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Re: Re: [abinit-forum] Reading wavefunction in unformatted WFK file


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  • From: jimkl@ust.hk
  • To: forum@abinit.org
  • Subject: Re: Re: [abinit-forum] Reading wavefunction in unformatted WFK file
  • Date: Tue, 14 Sep 2004 09:59:14 +0200

Sorry all, maybe my question is not specify enough. Let me clarify my
question. In my understanding, the input variables irdwfk and getwfk work for
further calculation by 'abinis' only(?). However in my problem, I want to
check the representations those the wavefunctions belong to. Thus, I would
like to write a program(subroutine) that apply the projection operators on
the wavefunctions. I wonder whether Abinit contains subroutines to read back
the wavefunctions [into kg(), eigen(), and cg()] so that I can call them in
my written program, or even better if Abinit can calculate the
representations of the wavefunction for me.

Thank you very much for your kindly help!

Regards,
Michael Jim



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