[Pw_forum] Li pseudo

Hande Ustunel hande at newton.physics.metu.edu.tr
Thu May 31 00:11:15 CEST 2007

Dear PWSCF users,

Does anyone have a us pbe Li pseudopotential lying around with 1s
state in valence? I see that the one already in the library has been

Related to this issue, has anyone else noticed a ~2% decrease in the
lattice constant of bcc Li when s states are included? Is this perhaps
a well-known thing?

Thank you very much in advance.

Hande Ustunel
Department of Physics
Office 439
Middle East Technical University
Ankara 06531, Turkey
Tel : +90 312 210 3264

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