DFT without atoms
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efang
DFT without atoms
Is it possible to run VASP without atoms, i.e. have it just spit out the parametrization of the homogeneous electron gas? If so, can it do this with Fermi-Dirac smearing? Thanks.
Last edited by efang on Fri Aug 10, 2012 1:54 am, edited 1 time in total.
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tlchan
DFT without atoms
Please take a look at this thread, for example. It seems like there is a special POTCAR that allows you to perform such type of calculations.
Last edited by tlchan on Thu Aug 30, 2012 4:05 am, edited 1 time in total.