[QE-users] using occupation matricx in DFT+U

[Mahmoud Payami Shabestari]

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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