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exercises:2017_uzh_cmest:pdos

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exercises:2017_uzh_cmest:pdos [2017/10/25 09:39] – [Getting the band structure of WO$_3$ Lattice] tmuellerexercises:2017_uzh_cmest:pdos [2020/08/21 10:15] (current) – external edit 127.0.0.1
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 To get the band structure for <chem>WO3</chem>, only a few changes are required compared to the previous example for [[PDOS|calculating the PDOS]]: To get the band structure for <chem>WO3</chem>, only a few changes are required compared to the previous example for [[PDOS|calculating the PDOS]]:
 + 
 <code - WO3-bs.inp> <code - WO3-bs.inp>
 &GLOBAL &GLOBAL
Line 189: Line 189:
          SYMMETRY .FALSE.          SYMMETRY .FALSE.
          FULL_GRID .FALSE.          FULL_GRID .FALSE.
-         PARALLEL_GROUP_SIZE  0+         PARALLEL_GROUP_SIZE -1
       &END KPOINTS       &END KPOINTS
       &PRINT       &PRINT
exercises/2017_uzh_cmest/pdos.1508924386.txt.gz · Last modified: (external edit)