[Wien] Problem creating struct files from VASP contcar files

[Doug du Boulay]

On Wednesday 07 January 2004 09:48, pjr8 wrote:
> Hello,
>
> coordinates.  Using StructGen, I entered a=5.105, b=5.187, c=5.178 and
> alpha=112.8, beta=120.5, gamma=78.6.  The atom positions were entered in

sorry to break this to you, BUT ... that is, by definition, triclinic.
If you want monoclinic then at least two of alpha,beta and gamma should be 
precisely 90.00000 degrees.

HTH
Doug