[Pw_forum] how to define celldm(4) or cos(ab) for monoclinic system.

[Lori 91]

Thanks a lot Stefano but in My caluclation with space group 15 must I put ubiqueb=.true.???
Thanks a lot 

Inviato da iPhone

> Il giorno 30 giu 2016, alle ore 18:25, Stefano de Gironcoli <degironc at sissa.it> ha scritto:
> 
> 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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