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Published 20 hours ago • verified publisher icon LLNL

Calculation aborts after 100 iteration

Open AzeemaSaeed opened this issue 1 year ago • 0 comments

The tddft run aborts after 100 iterations with the message: "qball: SlaterDet.cc:269: void SlaterDet::resize(const UnitCell &, const UnitCell &, double, int): Assertion `maxlocal != 0' failed."

The files and restart folder are also not saved. How can I fix this please.

AzeemaSaeed avatar Jun 15 '23 08:06 AzeemaSaeed