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times-software / OCEAN

BSE code for core spectroscopy
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QE insulator occupations #194

Closed jtv3 closed 7 years ago

jtv3 commented 7 years ago

QE has an option to request an insulator occupation, but at the moment we pass in "gauss" smearing. This may be related to trying to coax a Fermi level from the calculation. Should attempt a work-around so that calculations will match with ABINIT for very small band gaps.

jtv3 commented 7 years ago

Should be implemented and bug free as of 8977ddf2b