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Right now the Eigenenergies and Eigenvectors for the whole k-space are calculated for every E-point in the DOS calculation. This is very slow and can be improved, if the nesting is switched:
for k-points:
calc Ham(K)
for E points:
do stuff
rather than
for E-points:
for k-points:
calc Ham(k)
do stuff
The text was updated successfully, but these errors were encountered:
Right now the Eigenenergies and Eigenvectors for the whole k-space are calculated for every E-point in the DOS calculation. This is very slow and can be improved, if the nesting is switched:
rather than
The text was updated successfully, but these errors were encountered: