Computer Lab: Difference between revisions
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==Basic Unix== | ==Basic Unix== | ||
*[https://thisisntnathan.github.io/dftCourse/ShortCourse/linuxBasics.html Essential commands] | *[https://thisisntnathan.github.io/dftCourse/ShortCourse/linuxBasics.html Essential Linux commands] | ||
*[https://wiki.physics.udel.edu/wiki_cmpb/images/6/67/LinuxIntro_2024.pdf Hands-on Linux Introduction] | |||
*How to submit parallel jobs on keldysh: | *How to submit parallel jobs on keldysh: | ||
<pre> | |||
mpirun -4 | |||
</pre> | |||
==VASP input files== | ==VASP input files== | ||
Revision as of 14:59, 16 August 2024
Basic Unix
- Essential Linux commands
- Hands-on Linux Introduction
- How to submit parallel jobs on keldysh:
mpirun -4
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
