[Wien] charge density plot for s-valence electrons
Amlan Ray
amlan_ray2005 at yahoo.com
Wed Dec 1 09:18:01 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. Staring 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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20101201/e95011f6/attachment.htm>
More information about the Wien
mailing list