[Pw_forum] Relativistic pseudopotential for Zr

Sohail Ahmad sohailphysics at yahoo.co.in
Wed May 11 21:23:41 CEST 2016

Dear QE usersI wish to study spin orbit effect in ZrS2.Unfortunately, relativistic pseudopotential is not available for Zr on QE website.Can we use scalar relativistic for Zr and fully relativistic for S for SOC calculation?Can anyone provide me fully relativistic pseudopotential for Zr?Best Wishes--------------------------------------------------------------------- 
Dr. Sohail AhmadKing Khalid UniversityAbha, Saudi Arabia--------------------------------------------------------------------
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