Difference between revisions of "Silicon Bulk Slab Comparison"
From William Parker Wiki
(→Phonon Bands and VDOS: Added 8-atom supercell bulk PBEsol figure) |
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! GGA-PBEsol | ! GGA-PBEsol | ||
| − | | | + | |[[File:Si.Fd-3m_8-atom.PBEsol.freq.vdos.png]] |
|[[File:Si.I41_amd_8-atom.PBEsol.freq.vdos.png]] | |[[File:Si.I41_amd_8-atom.PBEsol.freq.vdos.png]] | ||
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Revision as of 08:44, 1 June 2021
Phonon Bands and VDOS
| Bulk | Slab (1 ML) | |||
|---|---|---|---|---|
| Diamond | Beta-tin | Diamond | Beta-tin | |
| LDA-PZ | ||||
| GGA-PBE | 
|
| ||
| GGA-PBEsol | 
|
|
| |
