Solution LAB1 bands DOS diamond: Difference between revisions
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Created page with " * Back to the previous page: Structural and electronic properties of semiconductors and metals #Convergences === Band structure and DOS of Diamond ===" |
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=== Band structure and DOS of Diamond === | === Band structure and DOS of Diamond === | ||
Given the calculations run previously to determine the converged set of k-points, ecutwfc, and lattice parameter, here we set the following: | |||
nk = 8 | |||
ecutwfc = 60.0 # could be lowered further | |||
alat = 6.6694212 | |||
Revision as of 08:52, 16 December 2020
- Back to the previous page: Structural and electronic properties of semiconductors and metals #Convergences
Band structure and DOS of Diamond
Given the calculations run previously to determine the converged set of k-points, ecutwfc, and lattice parameter, here we set the following:
nk = 8 ecutwfc = 60.0 # could be lowered further alat = 6.6694212