[Pw_forum] Problem with vc-relaxation with SOC+GGA
Debnath Talukdar
debnath.talukdar at students.iiserpune.ac.in
Wed Jan 20 05:51:08 CET 2016
I was trying to do vc relaxation of orthrhombic CsPbBr3 with spin-orbit
coupling(SOC) and GGA (PBE) exchange-correlation. But it shows
noncollinear stress + GGA not implemented. So how can I do vc-relaxation
with SOC with GGA exchange-correlation.
Thanks
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