exercises:2018_uzh_cmest:adsorption
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| exercises:2018_uzh_cmest:adsorption [2018/11/06 09:11] – [Lattice constant optimization] abussy | exercises:2018_uzh_cmest:adsorption [2018/11/06 09:23] – [Lattice constant optimization] abussy | ||
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| &END XC_FUNCTIONAL | &END XC_FUNCTIONAL | ||
| &END XC | &END XC | ||
| - | |||
| - | &PDOS | ||
| - | # print all projected DOS available: | ||
| - | NLUMO -1 | ||
| - | # split the density by quantum number: | ||
| - | COMPONENTS | ||
| - | &END | ||
| - | &END | ||
| &END DFT | &END DFT | ||
exercises/2018_uzh_cmest/adsorption.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1