Computer Lab: Difference between revisions
From cmpb
Jump to navigationJump to search
| Line 10: | Line 10: | ||
*[https://wiki.physics.udel.edu/wiki_cmpb/images/c/c3/Dft_hand_on_h2o_relaxation.pdf Hands-on H<sub>2</sub>O relaxation using VASP] | *[https://wiki.physics.udel.edu/wiki_cmpb/images/c/c3/Dft_hand_on_h2o_relaxation.pdf Hands-on H<sub>2</sub>O relaxation using VASP] | ||
*[https://wiki.physics.udel.edu/wiki_cmpb/images/e/e0/Dft_hand_on_h2o_vibration.pdf Hands-on H<sub>2</sub>O vibration using VASP] | *[https://wiki.physics.udel.edu/wiki_cmpb/images/e/e0/Dft_hand_on_h2o_vibration.pdf Hands-on H<sub>2</sub>O vibration using VASP] | ||
*[https://wiki.physics.udel.edu/wiki_cmpb/images/9/9a/Dft_hand_on_graphene.pdf | *[https://wiki.physics.udel.edu/wiki_cmpb/images/9/9a/Dft_hand_on_graphene.pdf Band structure of graphene] | ||
*[https://wiki.physics.udel.edu/wiki_cmpb/images/6/6b/Dft_hand_on_nio.pdf | *[https://wiki.physics.udel.edu/wiki_cmpb/images/6/6b/Dft_hand_on_nio.pdf Band structure of NiO] | ||
==OpenMX input files== | ==OpenMX input files== | ||
Revision as of 21:40, 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
- Band structure of graphene
- Band structure of NiO
