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ESM model on doped trilayer graphene
Date: 2020/08/22 00:50
Name: Samuel Dechamps   <samuel.dechamps@uclouvain.be>

Dear all,

I wanted to report that the bug described here (http://www.openmx-square.org/forum/patio.cgi?mode=view&no=2076) might not be solved.

Indeed, the scf cycle has NAN energies (and therefore dUele=NAN).

This bug occured when I set : ESM.switch on2

If ESM is 'off', no problem occurs for the same input file.

Best,
S. Dechamps

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