[Pw_forum] Question on based-centered monoclinic cell input

Paolo Giannozzi giannozz at nest.sns.it
Wed Oct 12 17:19:33 CEST 2005


On Monday 10 October 2005 21:13, Yansun Yao wrote:

>    I have a question on the input defining a based-centered
>    monoclinic cell (ibrav=13).

I am afraid that the ibrav=13 case was not really correct. 
Please try if the attached version of "latgen.f90" produces
more sensible lattice vectors.

Paolo
-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy
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