[Pw_forum] pseudotype
荣
1830468524 at qq.com
Wed Nov 9 07:34:09 CET 2016
Dear all PseudoPotential
I want to generate a Si (1s2 2s2 2p6 3s2 3p6) norm-conserving pseudopotential with valence state 2s2 2p6 3s2 3p6 .I Know some other code can't deal with the same l valence orbit ,such as 2s 3s.
I use atomic code .There also many problems .
can you give me some guidances or some examples.
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