Computer Lab: Difference between revisions
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| Line 11: | Line 11: | ||
*[[H2O]] | *[[H2O]] | ||
*[[Graphene]] | *[[Graphene]] | ||
*[[ | *[[NiO]] | ||
==OpenMX input files== | ==OpenMX input files== | ||
Revision as of 20:37, 15 August 2024
Basic Unix
- Essential commands
- How to submit parallel jobs on keldysh:
- Hands-on Linux intro
VASP input files
- Hands-on H2O relaxation using VASP
- Hands-on H2O vibration using VASP
- Hands-on Graphene using VASP
- Hands-on NiO using VASP
- H2O
- Graphene
- NiO
