sorry but I don't really know what ubiqueb would be.
i doubt it is a quantum espresso input parameter.
stefano
On 30/06/2016 18:34, Lori 91 wrote:
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
<[email protected] <mailto:[email protected]>> 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 <[email protected]
<mailto:[email protected]>> 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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