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Committer:
Alberto Garcia
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Date:
2018-04-26 13:04:08 UTC
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Revision ID:
albertog@icmab.es-20180426130408-dofde0e10f561cjw
Catch charge mismatchs in occupied states
If the basis sets includes an orbital for a low-lying shell which was
not included in the pseudopotential generation, it could happen that
it is considered occupied, thus leading to a charge inconsistency.
A check has bee introduced in the code to detect charge
inconsistencies.