[Pw_forum] pseudotype

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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