[Pw_forum] occupations from input

xirainbow nkxirainbow at gmail.com
Sat Sep 12 09:43:43 CEST 2009


Dear udayagiri sai babu:*Sorry, I am not fully understand what you want:(*

*You can find how to set occupation at example directory.*
For example:
&system
occupation = 'smearing'
smearing = 'gaussian'
degauss=0.001
/

Or you can use PWgui for convenience:)

On Sat, Sep 12, 2009 at 6:52 AM, udayagiri sai babu <udayagiri3 at gmail.com>wrote:

> Dear Xirainbow
> If i have to write occupations from input for say for Cr (nbnd=12) how does
> my occupations card look like
>

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