[Wien] charge density difference
hazem salem
salemhadihazem at yahoo.com
Sun Feb 10 12:28:36 CET 2008
Dear WIEN2k usres,
I want to plot the charge density difference to see the bonding in ZrO2. In this case, I did the following:
1. change the N to P in the case.inst file
2. x lstart -sigma
3. x lapw5
6. rhoplot
So does this mean that I got the charge density difference between ZrO2 and the atomic densities of Zr and O??
Thanks in advance
Hazem
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