From fdf62c07fc1e32223867c12242cfe23976c96406 Mon Sep 17 00:00:00 2001 From: Kamal Choudhary Date: Thu, 5 Sep 2024 20:14:23 -0400 Subject: [PATCH] Update databases.md --- docs/databases.md | 78 ----------------------------------------------- 1 file changed, 78 deletions(-) diff --git a/docs/databases.md b/docs/databases.md index aafa5e2d..5e8ebc57 100644 --- a/docs/databases.md +++ b/docs/databases.md @@ -84,82 +84,4 @@ df = pd.DataFrame(d) print(df) ``` -## JARVIS-DFT -Description coming soon! - -### JARVIS-Formation energy and bandgap - -### JARVIS-2D Exfoliation energies - -### JARVIS-MetaGGA (dielectric function and SLME, solar cells) - -### JARVIS-STM and STEM - -### JARVIS-WannierTB - -### JARVIS-Elastic constants - -### JARVIS-Topological materials (Spin-orbit Spillage) - -### JARVIS-DFPT (Piezoelectric, IR, Raman, dielectric, BEC) - -### JARVIS-BoltzTrap (Thermoelectrics coeff, eff. mass) - -### JARVIS-Magnetic moments - -### JARVIS-DFPT (Piezoelectric, IR, dielectric) - -### JARVIS-EFG - -### JARVIS-PBE0 and HSE06 - -### JARVIS-Heterostructure - -### JARVIS-EDOS-PDOS - -### JARVIS-Kpoint and cut-off - -## JARVIS-FF - -### Energetics - -### Elastic constants - -### Vacancy formation energy - -### Surface energy and Wulff-plots - -### Phonon DOS - -## JARVIS-RAW Files - -### JARVIS-DFT structure relaxation - -### JARVIS-DFT Elastic constants/finite difference - -### JARVIS-WannierTB - -### JARVIS-STM and STEM - -## External datasets used for ML training - -### Materials project dataset - -### QM9 dataset - -### OQMD dataset - -### AFLOW dataset - -### Polymer genome dataset - -### COD dataset - -### OMDB dataset - -### QMOF dataset - -### C2DB dataset - -### HPOV dataset