Difference between revisions of "Silicon Bulk Slab Comparison"
From William Parker Wiki
(Created page with " ==Phonon Bands and VDOS== {|- border="1" ! rowspan ="2" | ! colspan="2" | Bulk ! colspan="2" | Slab (1 ML) |- ! Diamond ! Beta-tin ! Diamond ! Beta-tin |- ! LDA-PZ | | | | |-...") |
(→Phonon Bands and VDOS: Added PBE 8-atom bulk Fd-3m phonon bands and VDOS) |
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! GGA-PBE | ! GGA-PBE | ||
| − | | | + | |[[File:Si.Fd-3m_8-atom.PBE.freq.vdos.png]] |
|[[File:Si.I41_amd.freq.vdos.png]] | |[[File:Si.I41_amd.freq.vdos.png]] | ||
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|[[File:Si.I41_amd-1ML.freq.vdos.png]] | |[[File:Si.I41_amd-1ML.freq.vdos.png]] | ||
|- | |- | ||
| − | ! | + | |- |
| − | + | ! GGA-PBEsol | |
| − | | | + | |[[File:Si.Fd-3m_8-atom.PBEsol.freq.vdos.png]] |
| − | | | + | |[[File:Si.I41_amd_8-atom.PBEsol.freq.vdos.png]] |
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| + | |[[File:Si.I41_amd-1ML.PBEsol.freq.vdos.png]] | ||
| + | |- | ||
|} | |} | ||
Latest revision as of 15:07, 14 April 2022
Phonon Bands and VDOS
| Bulk | Slab (1 ML) | |||
|---|---|---|---|---|
| Diamond | Beta-tin | Diamond | Beta-tin | |
| LDA-PZ | ||||
| GGA-PBE | 
|
|
| |
| GGA-PBEsol | 
|
|
| |
