[QE-users] [matrix diagonalization]

[박기명]

Dear user,

Looking at the calculation process, the eigenvalue problem is solved for each k-point to find the bands.
If the number of plane waves at each k-point, npw(k), is 10,000, and the desired number of bands is 100, does the program completely diagonalize 10,000 × 10,000 and select 100, or does it partially find only the 100 lowest-energy eigenvalues?

Best regards'
GiMyung Park
Yonsei University
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