calculation of band decomposed chargedensity in spin polarization system
Posted: Sat Apr 23, 2011 9:00 am
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 ?
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 ?