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Implement efficient DOS calculation #9

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MRedies opened this issue May 24, 2017 · 1 comment
Closed

Implement efficient DOS calculation #9

MRedies opened this issue May 24, 2017 · 1 comment

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@MRedies
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MRedies commented May 24, 2017

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
@MRedies
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MRedies commented May 30, 2017

did that

@MRedies MRedies closed this as completed May 30, 2017
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