lm decomposed DOS

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sf

lm decomposed DOS

#1 Post by sf » Thu Mar 09, 2006 1:40 pm

Hi,

How is achieved the lm decomposition for DOS calculations with PAW pseudos and LORBIT=11 ? Reading of RWIGS in the POTCAR ?

thank you...
Last edited by sf on Thu Mar 09, 2006 1:40 pm, edited 1 time in total.
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lm decomposed DOS

#2 Post by admin » Thu Mar 09, 2006 2:18 pm

yes, the weighting is done by calculating the l,m decomposed charge by integration of the charge density over the volumes given by RWIGS of each species.
Last edited by admin on Thu Mar 09, 2006 2:18 pm, edited 1 time in total.
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