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Published 20 hours ago • verified publisher icon aiidateam

Implement CommonBandsWorkChain for CASTEP

Open zhubonan opened this issue 3 years ago • 0 comments

Adds implementation of the bands workchain for CASTEP plugin.

I made a custom protocol for the oxide work. Make relaxation input generator accepts, checks on the protocol choices should be removed. I think it would be a good thing to have it removed any way - so we don't limit ourselves to three protocols only?

zhubonan avatar Jan 13 '22 18:01 zhubonan