<div dir="ltr"><div><div><div>Dear Manu Sir,<br><br></div>Thank you for prescribing THEOS PP.<br><br></div>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. <br>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)<br><br></div><div>Also, <br></div><div>How can I choose more ionic configurations.<br><br></div><div>Thanking You,<br></div><div>Aditya Vishwakarma<br></div><div>Under Graduate Student<br></div>College Of Engineering, Pune</div>