[Wannier] PAW / USPP pseudopotential in quantum espresso

[Genghuiyuan]

No, you cannot. 

Only NC pseudopotentials works for non-collinear calculations at this stage. 

 

 

Huiyuan Geng

Assoc. Prof

State Key Lab of Advanced Jonning and Welding

Harbin Institute of Technology, China

 

 

From: wannier-bounces at quantum-espresso.org [mailto:wannier-bounces at quantum-espresso.org] On Behalf Of Shu-Ting Pi
Sent: Tuesday, March 01, 2016 4:19 PM
To: wannier at quantum-espresso.org
Subject: [Wannier] PAW / USPP pseudopotential in quantum espresso

 

Dear all,

 

Is it possible to use PAW or USPP pseudopotentials in 

quantum espresso to wannierse a SOC calculation?

I tested it (w90 v1.2) and it doesn't work well. Any update 

on this issue?

 

Thanks, 

Shu-Ting

 

----

Shu-Ting Pi

Postdoctoral Researcher

Dept. of Physics, 

University of California, Irvine. 

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