[Pw_forum] chargedensity

xirainbow nkxirainbow at gmail.com
Wed Aug 5 14:37:11 CEST 2009


Dear vamsi kv:


> >can we know waht is the initial charge density guess

May be you can get it by setting "Convergence threshold for selfconsistency"
very large.


2.  What is bonding chargedensity?


I think  "Partial charge density." may help you;)

-- 
> ____________________________________
> Hui Wang
> School of physics, Nankai University, Tianjin, China
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