[Pw_forum] A method on defining a based-centered monoclinic cell
lanhaiping at gmail.com
Mon Mar 9 13:07:54 CET 2009
M$ stands for two possible in my words, one is
MicroSoft, the other is Material Studio.
I guess that guy should use it for the latter case.
On Mon, Mar 9, 2009 at 6:46 PM, Paolo Giannozzi <giannozz at democritos.it>wrote:
> On Mar 7, 2009, at 4:14 , yinwei_li wrote:
> > In fact, we could change the setting (ibrav=13) in the flib/
> > latgen.f90 from
> > [...] to [...] which corresponding with the defining form in the MS.
> MS = manuscript? Master of Science? Multiple Sclerosis?
> > I have tested it and found this way of defining could give us a
> > right structure.
> do you have any evidence that the current code produces an incorrect
> structure, or that the documentation is incorrect? case ibrav=13 has
> corrected more than once and as far as I know it is both correct and
> consistent with what the documentation says.
> Paolo Giannozzi, Democritos and University of Udine, Italy
> Pw_forum mailing list
> Pw_forum at pwscf.org
Department of Electronics ,
Peking University , Bejing, 100871
lanhaiping at gmail.com, hplan at pku.edu.cn
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the users