exercises:2017_uzh_cmest:pdos
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exercises:2017_uzh_cmest:pdos [2017/10/23 11:07] – tmueller | exercises:2017_uzh_cmest:pdos [2018/01/21 21:42] – [Getting the band structure of WO$_3$ Lattice] jglan | ||
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====== Getting the band structure of WO$_3$ Lattice ====== | ====== Getting the band structure of WO$_3$ Lattice ====== | ||
- | To get the band structure for WO3, only a few changes are required compared to the previous example for [[PDOS|calculating the PDOS]]: | + | To get the band structure for < |
+ | |||
<code - WO3-bs.inp> | <code - WO3-bs.inp> | ||
&GLOBAL | &GLOBAL | ||
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& | & | ||
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- | | ||
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- | | + | SYMMETRY .FALSE. |
- | | + | FULL_GRID .FALSE. |
+ | | ||
&END KPOINTS | &END KPOINTS | ||
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* The '' | * The '' | ||
- | <note tip>You are encouraged to use [[ http:// | + | <note tip>You are encouraged to use [[ http:// |
+ | < | ||
+ | 4 | ||
WO3; a=3.810000 | WO3; a=3.810000 | ||
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exercises/2017_uzh_cmest/pdos.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1