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

[harshit bharti]

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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170616/d68ef302/attachment.html>