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) |
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|[[File:Si.I41_amd-1ML.freq.vdos.png]] | |[[File:Si.I41_amd-1ML.freq.vdos.png]] | ||
| + | |- | ||
| + | |- | ||
| + | ! GGA-PBEsol | ||
| + | | | ||
| + | |[[File:Si.I41_amd.PBEsolfreq.vdos.png]] | ||
| + | | | ||
| + | |[[File:Si.I41_amd-1ML.PBEsol.freq.vdos.png]] | ||
|- | |- | ||
! metaGGA - SCAN | ! metaGGA - SCAN | ||
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 | File:Si.I41 amd.PBEsolfreq.vdos.png | 
| ||
| metaGGA - SCAN | ||||
