[QE-users] disordered values for "starting_ns_eigenvalue(m, ispin, itype)"
Mpayami
mpayami at aeoi.org.ir
Sun Jan 8 14:27:45 CET 2023
Dear All,
I am using QE-7.1. In a DFT+U calculation, when I specify the values for "starting_ns_eigenvelue(m,ispin,itype)" in a certain order, then in the scf cycle, after iteration #1, the WARNING !!! appears that warns about modification according to specified starting_ns_eigenvalue().
But the order of the modified eigenvalues are not the same as the ones specified in the input. Their magnetic quantum numbers "m" are changed.
Is there any bug with this issue?
Any comments is highly appreciated.
Best,
Mahmoud Payami
NSTRI, AEOI, IRAN
mpayami at aeoi.org.ir
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20230108/7679470d/attachment.html>
More information about the users
mailing list