CP2K Open Source Molecular Dynamics

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exercises:2018_uzh_cmest:pdos

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exercises:2018_uzh_cmest:pdos [2018/10/17 12:45] – [Getting the PDOS] abussyexercises:2018_uzh_cmest:pdos [2018/11/01 12:51] – [Getting the band structure of WO$_3$ Lattice] abussy
Line 185: Line 185:
       &END XC       &END XC
       &KPOINTS       &KPOINTS
-         SCHEME MONKHORST-PACK 3 3 1+         SCHEME MONKHORST-PACK 3 3 3
          WAVEFUNCTIONS REAL          WAVEFUNCTIONS REAL
          SYMMETRY .FALSE.          SYMMETRY .FALSE.
exercises/2018_uzh_cmest/pdos.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1