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]> 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 > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum
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