[Pw_forum] i brav findinf
Andrea Dal Corso
dalcorso at sissa.it
Tue Dec 20 19:42:42 CET 2016
Space group number 225 has fcc Bravais lattice. Therefore ibrav=2.
I usually call primitive the fcc cell, and conventional the cubic cell.
If you want to use the crystal_sg feature of QE, only the file with the
explicit space group number can be used with ibrav=2.
On Mon, 2016-12-19 at 21:58 +0400, ehsan targholi wrote:
> Dear all
> I have a question about the finding the ibrav. what the corrcet ibrav of
> primitive and conventional structures of Hexacyanofeerat.
> these structures are attached.
> best regards
> Pw_forum mailing list
> Pw_forum at pwscf.org
Andrea Dal Corso Tel. 0039-040-3787428
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