[Wien] Charge density plot for s-valence electrons

Amlan Ray amlan_ray2005 at yahoo.com
Mon Dec 6 05:57:43 CET 2010


Dear WIEN2K users,
I want to create a charge density plot for s-valence electrons (charge density versus distance from the corresponding atomic nucleus) and need help in this regard. Starting with case.clmval file, I can create charge density plot for all the valence electrons together using lapw5. But I am interested to seperate out only the valence s-electron contribution. Can someone help me in this regard? I am using WIEN2K9.1 version. 
 
With best regards
                                                                                                  Amlan Ray
Address
 
Amlan Ray
Variable Energy Cyclotron Center
1/AF, Bidhannagar
Kolkata - 700064
India

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