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Bug: mrggkk


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  • From: james raynolds <jamesraynolds@yahoo.com>
  • To: forum@abinit.org
  • Subject: Bug: mrggkk
  • Date: Tue, 8 Mar 2005 15:08:01 -0800 (PST)
  • Comment: DomainKeys? See http://antispam.yahoo.com/domainkeys
  • Domainkey-signature: a=rsa-sha1; q=dns; c=nofws; s=s1024; d=yahoo.com; b=Mv6wx4mAc+/WJ/yW8HsjfSFaKeztcjT5skr4TtBvy7RFThUYH4Su98YZy4s9wG7bQs0vQQ315WQ2KhcI/Q3zUuxEErx64Gxg7LLvHh2oWWQAof3IDgO+2ugH0NMjmxsbyLbtxcrtPCukUAQTLuzh4z3ITE1lmrOzI5FXB120A2Q= ;

To all,

There are bugs in the file mrggkk.F90 in
version_4.4.3. In particular
one must include the line:

headform = hdr%headform

before rwwf.F90 is called.

That is not the only bug, however, and I'm still
stuggling (after a few hours) to get it to correctly
read in the first WFK (from the ground state run).

Could someone please have a look at this? Matthieu?

Thanks,
Jim Raynolds

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