Dear all, I am using occupations as "smearing". Within that we have 'gaussian' , 'mathfessal Paxton' , 'mazari Vanderbilt'. In each case we have degauss varying starting from 0.01. Similarly we have different K points which also has to be optimised. Qn 1: I know that we have to optimize degauss and k point at same time and the Thumb rule is degauss --> small and K point --> large. My question is how to find which value of degauss and K point is better.?
Qn2: we have three sorts of smearing (Gaussian, mathfessal Paxton', mazari Vanderbilt) without including fermi-dirac. My question how to find which smearing is better. Or it depends on type of material which we use. With thanks, Singaravelan T R
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