[Pw_forum] where can I find norm-conserved fully relativistic PP, especially for Pb and Te?

[庞瑞(PANG Rui)]

Dear Yang
They can be found in 
http://theossrv1.epfl.ch/Main/Pseudopotentials
 
Sincerely




------------------


庞瑞(PANG Rui)



South University of Science and Technology of China/Department of Physics

No.1088,Xueyuan Road, Shenzhen,Guangdong







 
 
 
------------------ Original ------------------
From:  "Yang, Ji-Hui"<Ji-Hui.Yang at nrel.gov>;
Date:  Tue, Jun 30, 2015 05:42 AM
To:  "pw_forum at pwscf.org"<pw_forum at pwscf.org>; 

Subject:  [Pw_forum] where can I find norm-conserved fully relativistic PP,especially for Pb and Te?

 
Hi,

I didn't find any available norm-conserved fully relativistic PP. Does anyone know where I can find it?

Or I have to generate the PP myself?  I want to do spin-orbital coupling calculations for PbTe using pwscf,

and then calculate its thermal transport properties using Boltzwann implemented in Wannier90. However,

I noticed that right now pw2wannier90 interface only support norm-conserved fully relativistic PP for non-collinear

calculations. If anyone can offer some help, I'll appreciate it. Thanks.



Jihui

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