[Pw_forum] how to define celldm(4) or cos(ab) for monoclinic system.
Stefano de Gironcoli
degironc at sissa.it
Thu Jun 30 18:23:55 CEST 2016
The code assumes that the non-right angle is gamma= the angle between a and b axes.
Hence A=6.63.. B=21.09.. C=6.10.. cosab=cos(115.39..)
stefano
(sent from my phone)
> On 30 Jun 2016, at 18:05, Lorenzo Donà <lorechimica91 at hotmail.it> wrote:
>
> Dear all I really hate no idea how to define cilldm(4) or cosab I have searched in pw.x mail archive and red the pw.x input documentations but really i don’t understand how to define it.
> I have a system with this lattice parameters:
> A B C ALPHA BETA GAMMA
> 21.09173 6.10720 6.63605 90.00000 115.39358 90.00000
> Excuse for the really stupid question but i really don’t understand.
> Thanks a lot
> dearly
> lorenzo
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