I had calculated the band decomposed chargedensity in a spin
polarization system .
I has set the flags in INCAR:
LPARD=TRUE
IBAND=170 171 172
LSEPB=TRUE
but the file , such as PARCHG.0170.ALLK ,contain only the message of the spinup ,do not contain the message of the spindown. (but if i calculate the same using the energy range not the specific bands,i can get them both )
why ?
calculation of band decomposed chargedensity in spin polarization system
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xinhuanwen
calculation of band decomposed chargedensity in spin polarization system
Last edited by xinhuanwen on Sat Apr 23, 2011 9:00 am, edited 1 time in total.
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support_vasp
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Re: calculation of band decomposed chargedensity in spin polarization system
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