[ase-users] incorrectly ordered lattice vectors for vasp calculator

[Jens Jørgen Mortensen]

On 11/1/18 4:49 PM, Noam Bernstein via ase-users wrote:
> Does anyone else think that the fact that the ase vasp calculator just passes the cell vectors to vasp, without reordering them if the triple scalar product is negative, is a bug?  VASP certainly refuses to run with such a set of lattice vectors.


I think ASE should raise an exception for that case - not try to reorder 
lattice vectors.


Jens Jørgen


>
> 												Noam
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