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- From: bruno.siberchicot@cea.fr
- To: forum@abinit.org
- Subject: mkdenpos
- Date: Fri, 28 Oct 2005 11:16:28 +0200
Dear ABINIT'users,
I'm trying to perform calculations on a big 46 atoms oxyde. I obtain the
following warning at each electronic steps. Has anybody got a solution? Is it
a question of a too low cut-off energy?
Yours
Bruno Siberchicot
mkdenpos : WARNING -
Density went < 0 at 317790 points
and was set to 1.00E-14. Lowest was -0.16E+00.
Likely due to too low boxcut or too low ecut for pseudopotential core
charge.
- mkdenpos, bruno . siberchicot, 10/28/2005
- Re: [abinit-forum] mkdenpos, Masayoshi Mikami, 10/28/2005
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