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Re: [abinit-forum] PAW


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  • From: "Nuno A. G. Bandeira" <nuno.bandeira@ist.utl.pt>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] PAW
  • Date: Sat, 18 Mar 2006 00:12:06 +0000

marc.torrent@cea.fr wrote:
Hye,

I've found a problem that occur when PAW and mkmem=0 are used together.
I will commit it for the next version (5.1.3 to be release in April).
I do'nt know if it's related to your problems with g95 but it might be.

In passing, note that runs with PAW+(mkmem=0) can give strange results in the
present version (a temporary file i not read as it is written).

Thanks for checking this out !
It's quite possible that other binaries just misread as you say while g95 binaries complain.

May I have the patch as soon as you finish it or do I have to wait for 5.1.3 ?

regards,

--
Nuno A. G. Bandeira, AMRSC
Graduate researcher and molecular sculptor
Inorganic and Theoretical Chemistry Group,
Faculty of Science
University of Lisbon - C8 building, Campo Grande,
1749-016 Lisbon,Portugal
http://cqb.fc.ul.pt/intheochem/nuno.html
Doctoral student @ IST,Lisbon
--



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