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exercises:2017_uzh_cmest:pdos [2017/10/25 09:39]
tmueller [Getting the band structure of WO$_3$ Lattice]
exercises:2017_uzh_cmest:pdos [2018/01/21 21:42]
jglan [Getting the band structure of WO$_3$ Lattice]
Line 137: Line 137:
  
 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.txt ยท Last modified: 2018/01/21 21:42 by jglan