castep_driver.py not recognising OTF pseudo potential definition

libAtoms / QUIP

libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io

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Closed gabor1 closed 5 years ago

gabor1 commented 9 years ago

This is in my template cell file:

---------- cut here --------- kpoints_mp_spacing 0.020

symmetry_generate

%BLOCK SPECIES_POT Al 2|1.2|23|26|29|20U:21U:30:31(qc=8) %ENDBLOCK SPECIES_POT ----------- cut here ------------

jameskermode commented 5 years ago

closing since castep_driver.py has been removed, use ase.calculators.castep.Castep