[Pw_forum] Questions about generating pseudopotential by ld1.x

[Aditya Vishwakarma]

Dear Manu Sir,

Thank you for prescribing THEOS PP.

I have visited the website , but the result are only for 3s and 3p states.
And I want for s ,p and d states.And I want to learn how to generate
pseudopotential on my own.
Can you suggest why do they put negative signs in the configuration of Si
(like- [Ne] 3s2 3p2 3d-2.0 4f-2.0). Does that have any significance of an
atom in solid.?( I am just curious to know)

Also,
How can I choose more ionic configurations.

Thanking You,
Aditya Vishwakarma
Under Graduate Student
College Of Engineering, Pune
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