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- From: "Eric Bousquet" <Eric.Bousquet@ulg.ac.be>
- To: forum@abinit.org
- Subject: [abinit-forum] nsppol and ixc
- Date: Mon, 29 Sep 2008 13:50:07 +0200 (CEST)
- Importance: Normal
Hi all,
In the abinit web site, in the input variable list of the 5.4 version it
is written that for the nsppol variable, when nsppol=2, only the ixc=0, 1,
7 and 11 are allowed.
However, when I run a job with nsppol=2 and ixc=3 or 23, the calculations
seem working correctly and no warning appears about the compatibility of
ixc and nsppol.
Is the ixc=3 or 23 are allowed with nsppol=2 in the v5.4 and so the
sentence saying no should be modified in the input variable list, or they
are not allowed?
Regards,
Eric
Universite de Liege
Institut de Physique, Bat. B5
Allee du 6 aout, 17
B-4000 Sart Tilman
BELGIUM
Phone : ++(32) (0)4-366.37.22
Fax : ++(32) (0)4-366.36.29
http://www.ulg.ac.be/phythema
- [abinit-forum] RELAXATION, Enrico, 09/26/2008
- Re: [abinit-forum] RELAXATION, Anglade Pierre-Matthieu, 09/26/2008
- [abinit-forum] The Total Energy, sara yazdani, 09/26/2008
- Re: [abinit-forum] RELAXATION, ธนูสิทธิ์ บุรินทร์ประโคน, 09/27/2008
- [abinit-forum] nsppol and ixc, Eric Bousquet, 09/29/2008
- <Possible follow-up(s)>
- Re: [abinit-forum] RELAXATION, Enrico Avenati, 09/26/2008
- Re: [abinit-forum] RELAXATION, Anglade Pierre-Matthieu, 09/26/2008
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