Difference between revisions of "Silicon Bulk Slab Comparison"
From William Parker Wiki
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! GGA-PBEsol | ! GGA-PBEsol | ||
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| − | |[[File:Si.I41_amd. | + | |[[File:Si.I41_amd.PBEsol.freq.vdos.png]] |
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|[[File:Si.I41_amd-1ML.PBEsol.freq.vdos.png]] | |[[File:Si.I41_amd-1ML.PBEsol.freq.vdos.png]] | ||
Revision as of 15:06, 10 May 2021
Phonon Bands and VDOS
| Bulk | Slab (1 ML) | |||
|---|---|---|---|---|
| Diamond | Beta-tin | Diamond | Beta-tin | |
| LDA-PZ | ||||
| GGA-PBE | 
|
| ||
| GGA-PBEsol | 
|
| ||
| metaGGA - SCAN | ||||
