Computer Lab: Difference between revisions
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*[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 Hands-on Graphene] | *[https://wiki.physics.udel.edu/wiki_cmpb/images/9/9a/Dft_hand_on_graphene.pdf Hands-on Graphene using VASP] | ||
*[[H2O]] | *[[H2O]] | ||
*[[Graphene]] | *[[Graphene]] | ||
Revision as of 10:39, 14 August 2024
Basic Unix
- Essential commands
- How to submit parallel jobs on keldysh:
VASP input files
- Hands-on H2O relaxation using VASP
- Hands-on H2O vibration using VASP
- Hands-on Graphene using VASP
- H2O
- Graphene
- RuO2
