[QE-users] use occupation matrix
Mahmoud Payami Shabestari
mpayami at aeoi.org.ir
Tue Dec 13 11:53:29 CET 2022
Dear All,
Hi.
For starting an scf run in DFT+U, how can I input the selfconsistent
occupation matrix of a previous run? That is, how can I save a
selfconsistent occupation matrix in a first run, and how can I input that to
a second scf run?
Any comments is highly appreciated.
Best regards,
Mahmoud Payami
NSTRI, AEOI, Tehran, Iran
Email: mpayami at aeoi.org.ir
Phone: +98 (0)21 82066504
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