[QE-users] QE-7.1 and DFT+U

[Mahmoud Payami Shabestari]

Dear QE developers,



Hi.

In the new release QE-7.1, I investigated through the example08 of PW, the 
example of FeO.

In the release-notes, Incompatible changes, line 3, it is mentioned that 
"input syntax" is changed.

But, comparing the results from qe-7.1 and qe-6.7, one notices significant 
changes in the input and outputs of feo_user_ns files.

Explicitly, the starting_magnetization for O is removed in the new one. Does 
it mean the default value is still zero or the code searches for a better 
starting magnetization?

Any comments is highly appreciated.



With best regards,

Mahmoud Payami

NSTRI, AEOI, Tehran, Iran



Email: mpayami at aeoi.org.ir

Phone: +98 (0)21 82066504



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