[Pw_forum] On the UPF file format and pseudo-wave function

yukihiro_okuno at fujifilm.co.jp yukihiro_okuno at fujifilm.co.jp
Thu Nov 20 12:38:46 CET 2008

Dear PWSCF users and developer.

I want to know the detail about UPF file.

In the  "pseudo_types" Module in PWSCF program,

there are variables  chi, and pswfc, and which means pseudo atomic

wave function and what is the difference between chi and pswfc.

On the pswfc,  it seems that if values of pswfc is stored in the

there must be the tag " has_wfc = "T"  " in UPF file and in the example

UPF file,  only paw type potential file include such a tag, and also

there are tag "PP_CHI" which is not written in manual of UPF file format.

chi means pseudo-wave function  ?


Yukihiro Okuno.

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