[Pw_forum] projwfc.x cannot produce the correct Lowdin charges or fail completely

[Ariadna Blanca Romero]

Dear Run, 

Why are you using a Vandebilt ultrasoft pseudo for Zn? For you other elements you are using the PAW method. I think you can't mix between two different approaches. You must choose one of them in order to be consistent.

Best wishes, 
Ariadna 


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Dr. Ariadna Blanca Romero
Research Associate 
Imperial College London














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