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

Noam Bernstein noam.bernstein at nrl.navy.mil
Thu Nov 1 16:49:47 CET 2018


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.

												Noam


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