exercises:2014_ethz_mmm:tio2_gap
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exercise:tio2_gap [2014/04/10 15:31] – oschuett | exercise:tio2_gap [2014/04/10 15:36] – [Basis Set] oschuett | ||
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===== Required files ===== | ===== Required files ===== | ||
- | * file with truncation parameters: | + | ==== Parameters for Truncated Coulomb Potential ==== |
- | | + | {{: |
+ | | ||
+ | ==== Restart wave-function | ||
+ | This is useful to speed up the calculation | ||
+ | {{: | ||
< | < | ||
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==== Basis Set ==== | ==== Basis Set ==== | ||
- | <code - BASIS_TiO > | + | <code - BASIS_TiO> |
# O | # O | ||
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'' | '' | ||
- | <code - tio.cif > | + | <code - tio.cif> |
# | # | ||
exercises/2014_ethz_mmm/tio2_gap.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1