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- From: hichem bouderba <hichem.bouderba@gmail.com>
- To: forum@abinit.org
- Subject: Re: [abinit-forum] warning in structural optimisation ?
- Date: Wed, 12 Aug 2009 09:23:00 +0200
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2009/8/11 Emmanuel Arras <emmanuel.arras@cea.fr>
works fine for me :
abinit 5.8.3
pseudo proposed here http://www.wfu.edu/~natalie/papers/pwpaw/periodictable/atoms/Ca/index.html
what version of abinit are you using?
what pseudo?
5.8.3 is the one I am using, for the moment.
for the atomic dataset PAW : I have generated it with atompaw.
Calculation completed.
.Delivered 1 WARNINGs and 4 COMMENTs to log file.
+Overall time at end (sec) : cpu= 299.0 wall= 299.0
what about these warning and comments ?
- [abinit-forum] warning in structural optimisation ?, hichem.bouderba, 08/09/2009
- Re: [abinit-forum] warning in structural optimisation ?, Emmanuel Arras, 08/10/2009
- Re: Re: [abinit-forum] warning in structural optimisation ?, hichem.bouderba, 08/11/2009
- Re: [abinit-forum] warning in structural optimisation ?, Emmanuel Arras, 08/11/2009
- Re: [abinit-forum] warning in structural optimisation ?, hichem bouderba, 08/12/2009
- Re: [abinit-forum] warning in structural optimisation ?, Emmanuel Arras, 08/12/2009
- Re: [abinit-forum] warning in structural optimisation ?, hichem bouderba, 08/13/2009
- Re: [abinit-forum] warning in structural optimisation ?, Emmanuel Arras, 08/12/2009
- Re: [abinit-forum] warning in structural optimisation ?, hichem bouderba, 08/12/2009
- Re: [abinit-forum] warning in structural optimisation ?, Emmanuel Arras, 08/11/2009
- Re: Re: [abinit-forum] warning in structural optimisation ?, hichem.bouderba, 08/11/2009
- Re: [abinit-forum] warning in structural optimisation ?, Emmanuel Arras, 08/10/2009
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