paolo.giannozzi at uniud.it
Mon Apr 28 19:27:43 CEST 2014
On Mon, 2014-04-28 at 18:33 +0200, Tommaso Francese wrote:
> occupations = 'tetrahedra' ,
tetrahedra are not in principle suitable for scf calculations ...
> smearing = 'marzari-vanderbilt'
... and this option is incompaticle with the previous one
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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