[ase-users] OpenMp-capable DFTB+ runs only in a single thread

Ben Hourahine benjamin.hourahine at strath.ac.uk
Fri Mar 23 16:11:42 CET 2018


Hello Igor,

would setting the variables in the same configuration file as the
Slater-Koster paths:

https://wiki.fysik.dtu.dk/ase/ase/calculators/dftb.html

work?



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