Computer Lab: Difference between revisions
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| Line 4: | Line 4: | ||
*How to submit parallel jobs over 16 cores of keldysh: | *How to submit parallel jobs over 16 cores of keldysh: | ||
<pre> | <pre> | ||
mpirun -np | mpirun -np 16 openmx material.in > material.out | ||
</pre> | </pre> | ||
Revision as of 21:44, 16 August 2024
Basic Unix
- Essential Linux commands
- Hands-on Linux Introduction
- How to submit parallel jobs over 16 cores of keldysh:
mpirun -np 16 openmx material.in > material.out
VASP input files
- Hands-on H2O relaxation using VASP
- Hands-on H2O vibration using VASP
- Band structure of graphene
- Band structure of NiO
