Dear All,
I would like to create the PARCHG on Gamma point of my VB and my CB of my ferromagnetic system.
The problem is that they are spin UP and DOWN, respectively..... How to set in this case IBAND?
I mean how to distinguish Spin up bands from Spin down bands in the BAND decomposed chargedensity?
How is the sequential numbering of IBAND in the case of spin polarized calculations...how to specify my CB is spin down (bands number 48) and my VB is spin up (bands number 57) ?
Very best,
Giacomo
IBAND tag for SPIN POLARIZED CALCULATIONS
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giacomo giorgi
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IBAND tag for SPIN POLARIZED CALCULATIONS
Last edited by giacomo giorgi on Thu Jun 16, 2011 10:55 am, edited 1 time in total.
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support_vasp
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Re: IBAND tag for SPIN POLARIZED CALCULATIONS
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