[Pw_forum] Spin polarisation for odd number of electrons

[Lorenzo Paulatto]

In data 10 settembre 2009 alle ore 12:25:19, Shaptrishi Sharma  
<sh.shapt at gmail.com> ha scritto:
>    My question has not been answered. I asked earlier once that how  
> shall I perform spin polarisation in my system , as I have odd number of
> electrons in my system . Can anybody give any suggetions?

Dear Shaptrishi,
just set nspin=2 in the &system namelist, you will also have to use  
smearing in order to improve convergence. Have a look at the manual for  
details.

best regards


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Lorenzo Paulatto
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