[Pw_forum] Pseudopotential generation of Silicon in [Ne] 3s2 3p2 3d0 configuration

harshit bharti harshit.bharti at gmail.com
Fri Jun 16 09:27:54 CEST 2017


Dear all,

SInce the last few days, I have been trying to produce pseudo wave function
for Silicon in the ground state. However, I am always getting wrong
pseudopotential for 3d orbital.
I have found out via some research papers and books that the configuration
used for Silicon is in excited state.
It would be a pleasure if I could get more information about the ground
state pseudopotential generation of silicon especially the 3d orbital.

Thanking you

Yours sincerely,
Harshit Bharti
Visvesvaraya National Institute of Technology,
Nagpur
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