QuantumWise Forum
May 24, 2013, 23:55 *
Welcome, Guest. Please login or register.
Did you miss your activation email?

Login with username, password and session length
News:
 
   Home   Help Search Login Register  
Pages: [1]   Go Down
  Print  
Author Topic: Ionic Pseudo-potential - Fe  (Read 394 times)
0 Members and 1 Guest are viewing this topic.
devesh
New ATK user
*

Reputation: 0
Offline Offline

India India

Posts: 2


View Profile
« on: February 14, 2012, 22:48 »

I Want a Norm conserving Pseudopotential using the scalar-relavistic
TM Scheme in KB factorised method with non linear core correction of
Iron (Fe) having 3d5 4s0 electronic configuration in UHP format for
SGGA-PBE.

Can anyone please help me with this?  Huh?

I know i can use Opium Generator, but as i am not still good with scripting  Sad , i would request if some one can help me with this? 



Logged
Pages: [1]   Go Up
  Print  
 
Jump to:  

Powered by MySQL Powered by PHP Powered by SMF 1.1.18 | SMF © 2006-2008, Simple Machines Valid XHTML 1.0! Valid CSS!