[QE-users] Proper scf input file for study SOC effect on magnetic insulator

[Nuttachai Jutong]

Dear Iurii,
Thank you very much for your quick reply. However, computing band
structure without the two-step procedure, I got a metallic band
structure (please see 00_02-EuO.Primitive.SOC.PAW.O-nl.jpg), but with
the two-step procedure, I got an insulator band gap (please see
00_03-_EuO.Primitive.SOC-LDAU.PAW.O-nl.jpg). Do you have any comments
on this?

Best regards,
Nuttachai

----
Dr. Nuttachai Jutong
Researcher,
Center of excellence in quantum technology, Faculty of Engineering,
Chiang Mai University,
Thailand
-------------- next part --------------
A non-text attachment was scrubbed...
Name: 00_01-EuO.Primitive.LDAU.PAW.O-nl.jpg
Type: image/jpeg
Size: 81102 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20220707/e02da13a/attachment.jpg>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: 00_02-EuO.Primitive.SOC.PAW.O-nl.jpg
Type: image/jpeg
Size: 92378 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20220707/e02da13a/attachment-0001.jpg>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: 00_03-_EuO.Primitive.SOC-LDAU.PAW.O-nl.jpg
Type: image/jpeg
Size: 82051 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20220707/e02da13a/attachment-0002.jpg>