How to set NEDOS according to the differnet systems ?
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VASP001
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How to set NEDOS according to the differnet systems ?
I don't know how to set the parameter :NEDOS .And is there some keys to set the NEDOS for the different systems ,for example ,the molecular ,the periodical system ,the conductor ,semiconductor ,insutor and the bulk ,and the surface ?
Last edited by VASP001 on Sat Jan 02, 2010 2:31 am, edited 1 time in total.
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physicalattraction
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How to set NEDOS according to the differnet systems ?
NEDOS is "just" the number of energy points in your density of states file in the end. If you want a finer grid, increase this number to what you want. Note that for a real fine DOS, you also have to play with the number of k-points and the smearing factor.
Last edited by physicalattraction on Thu Jan 07, 2010 10:01 am, edited 1 time in total.
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VASP001
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How to set NEDOS according to the differnet systems ?
I know the what the NEDOS stands for ,and I just want know the range of the value for the common system.
Last edited by VASP001 on Fri Jan 08, 2010 1:03 pm, edited 1 time in total.