[Pw_forum] PWSCF and PAW

degironc degironc at sissa.it
Fri Mar 2 22:07:30 CET 2007

This means that PAW are under development and that so far only the 
generation of datasets is done, while the incorporation into PW is 
underway. We hope it will be available soon in the distribution.

Chao Cao wrote:

> Dear PWSCF users,
> Since I see there's a subdirectory in atomic_doc/ about PAW 
> pseudopotential generation, and also several files about PAW in 
> directory PW/, I assumed that PWSCF is capable to use PAW 
> pseudopotentials. However, when I set the pseudopotential to the file 
> produced in paw_gen_test/, the program fails because of 
> "pseudopotential is empty or wrong". So, does that mean I can't use 
> PAW or I have to turn on some secrete flags in the input file? Thanks
> Best
> Chao Cao
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