[QE-users] Am with DFT+U+SOC

[Malte Sachs]

Dear DFT+U experts,

I want to study metallic Am with DFT+U+SOC. It should be non-magnetic 
with the 5f_j5/2 level fully occupied. However, I am struggling to set 
this as initial configuration using the starting_ns_eigenvalue option in 
QE. Is this possible at all with this option or do I misunderstand 
something?

Best regards,

Malte

-- 
Malte Sachs
Anorganische Chemie, Fluorchemie
Philipps-Universität Marburg
Hans-Meerwein-Straße 4
35032 Marburg (Paketpost: 35043 Marburg)
Tel.: +49 (0)6421 28 - 25 68 0
http://www.uni-marburg.de/fb15/ag-kraus/


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