[Wannier] UNK from PAW in VASP

Kim, Sunghyun sunghyun.kim at imperial.ac.uk
Mon Apr 1 09:51:14 CEST 2019


Dear All, 

Is UNK file generated by VASP is an all electron wave functions or a pseudo wave function when I use PAW pseudo potential?
I think it must not be a pseudo wave function because they are not an eigenstate and orthonormal. But I cannot find any reference.

Best regards,
Sunghyun.

--
Sunghyun Kim
Postdoctoral Researcher

Department of Materials
Faculty of Engineering
Imperial College London
South Kensington Campus
London SW7 2AZ
 
Email: sunghyun.kim at imperial.ac.uk



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