[QE-users] creating pseudopotentials
Ishiyama,Takahisa_石山 貴久
takahisa.ishiyama at jp.yazaki.com
Thu Nov 23 07:34:34 CET 2023
Dear users:
I’m creating paw pseudopotentials by ld1.x.
But I’m confused about the input.
With same configuration of electron of C atom, there is different output between with and without test option,
I attached inputs with and without test option, and I found only 3s orbitals have different behavior (green line).
Which is the correct way, using or not using test option?
Best Regards,
Takahisa Ishiyama
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