Why is my vc-relax computation of a W-based material is not converging? What important factors should I consider to attain convergence?
Here are some of the parts of the input file: &system ibrav = 0, nat= 9, ntyp= 2, ecutwfc = 36.7, ecutrho = 367, smearing = 'methfessel-paxton', occupations = 'smearing',...
10 February 2021
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