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knc6 authored Sep 6, 2024
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## 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

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