J*******3
发帖数: 1651 | 1 Got confused about two concepts:
input file, Matrix of supercell(coordinates) is needed, while when
calculating some properties, Monkhorst Pack is also needed. What is the
difference between them? or they refer to one thing, one is in real space,
the other one in reciprocal space?
Many thanks! | J*******3
发帖数: 1651 | 2 Is there any correlation between them?
many thanks! | R**X
发帖数: 417 | 3 u mean k mesh...thats the place u sample the wavefunction and do integral |
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