[Pw_forum] Generating pseudo potentials containing GIPAW datas

鈴木 不律 suzuki.furitsu at fs3.ecs.kyoto-u.ac.jp
Sat Jan 17 11:05:17 CET 2009


Dear PWSCF users and developer,

I apologize if this has come up before, but I hope someone 
will have the advice for me about generating GIPAW pseudo potentials. 

I want to know generate pseudo potentials containing GIPAW datas 
similar to the ones used in the GIPAW_example directory.

I found it needs lgipaw_reconstruction tag in input file,
but the created UPF file by ld1.x doesn't have similar headers,
and it can't be used with the gipaw.x (QE v.4.0.3).

Would you please give me some advice?

Sincerely,

Furitsu Suzuki 
Department of Molecular Engineering,
Graduate School of Engineering,
Kyoto University, Japan
E-mail: suzuki.furitsu at fs3.ecs.kyoto-u.ac.jp




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