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== | == Code Development == | ||
* [ | * [[Numerical HF video]] | ||
* [ | * [[Code working status]] | ||
* [ | * [[Embedding SIC into density functional calculations for large-scale SIC calculations -Dr.Chang (UTEP)]] | ||
== Tutorials == | |||
* [https://quantum.utep.edu/wiki/index.php?title=Basis_set_conversion_for_NRLMOL&action=edit&redlink=1 Usage of basis converter for NRLMOL] | * [https://quantum.utep.edu/wiki/index.php?title=Basis_set_conversion_for_NRLMOL&action=edit&redlink=1 Usage of basis converter for NRLMOL] | ||
* [[How to install Libnxc]] | * [[How to install Libnxc]] | ||
* [https://quantum.utep.edu/wiki/index.php?title=ECP_for_higer_functions_(f_and_g)_on_implicit_none_blockmesh Usage of ECP on blockmesh code] | * [https://quantum.utep.edu/wiki/index.php?title=ECP_for_higer_functions_(f_and_g)_on_implicit_none_blockmesh Usage of ECP on blockmesh code] | ||
* [https://quantum.utep.edu/wiki/index.php?title=Magnetic_Anisotropy_Calculation Magnetic Anisotropy Calculation] | |||
* [[Plotting density of states]] | |||
* [[Tutorial: how to run vibrational calculation]] | * [[Tutorial: how to run vibrational calculation]] | ||
| Line 33: | Line 27: | ||
* [[requesting TACC allocation]] | * [[requesting TACC allocation]] | ||
* [[ | * [[Git instructions]] | ||
* [[cp2k]] | |||
== FLOSIC seminar talks == | |||
* Here we will add past seminar talks | |||
https://www.youtube.com/watch?v=bcYta8eS8rQ : Embedding SIC into density functional calculations for large-scale SIC calculations -Dr.Chang (UTEP) | |||
https://www.youtube.com/watch?v=8J_Yba4Atj4 : Walkthrough of FLOSIC code in NERSC Perlmutter-Selim (UTEP) | |||
https://www.youtube.com/watch?v=n_sPJNcpErI : Updating FLOSIC's Documentation with Sphinx: A User-Friendly tool for Documentation Generation-Angel. | |||
https://www.youtube.com/watch?v=PCxEousSqyM : Applications of Many-Body Methods: A Synopsis of My Projects-Yashpal (CMU) | |||
https://www.youtube.com/watch?v=kumwndjoGN0 : Energetics of Transition Metal Molecules - Rohan (Temple) | |||
https://youtu.be/qKCpP_48gv0 : New features and changes in NRLMOL code | |||
https://youtu.be/RsrYCYsQ7f8 : Self-Interaction Correction for Solvated Anions | |||
https://youtu.be/FFTMa0qP2xU : Strong correlation in molecular dimers | |||
https://youtu.be/bcYta8eS8rQ : Embedding SIC into density functional calculations for large-scale SIC calculations | |||
https://youtu.be/Qx9cQunPi78 : How do you not lose your mind with FLOSIC transition metal applications? | |||
== Projects == | |||
* [https://quantum.utep.edu/wiki/index.php?title=Local_SIC LSIC] (This page is visible publically) | |||
* [https://quantum.utep.edu/wiki/index.php?title=Selective_orbital_scaling_self-interaction_correction_(SOSIC) Selectively orbital scaling self-interaction correction (SOSIC)] | |||
== Wiki Test page == | |||
* [https://quantum.utep.edu/wiki/index.php?title=Test_project Test page] | |||
<strong>This wiki is powered by MediaWiki</strong> | |||
Consult the [https://www.mediawiki.org/wiki/Special:MyLanguage/Help:Contents User's Guide] for information on using the wiki software. | |||
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Latest revision as of 19:54, 2 May 2025
Welcome to ES Lab Wiki
Code Development
- Embedding SIC into density functional calculations for large-scale SIC calculations -Dr.Chang (UTEP)
Tutorials
FLOSIC seminar talks
- Here we will add past seminar talks
https://www.youtube.com/watch?v=bcYta8eS8rQ : Embedding SIC into density functional calculations for large-scale SIC calculations -Dr.Chang (UTEP)
https://www.youtube.com/watch?v=8J_Yba4Atj4 : Walkthrough of FLOSIC code in NERSC Perlmutter-Selim (UTEP)
https://www.youtube.com/watch?v=n_sPJNcpErI : Updating FLOSIC's Documentation with Sphinx: A User-Friendly tool for Documentation Generation-Angel.
https://www.youtube.com/watch?v=PCxEousSqyM : Applications of Many-Body Methods: A Synopsis of My Projects-Yashpal (CMU)
https://www.youtube.com/watch?v=kumwndjoGN0 : Energetics of Transition Metal Molecules - Rohan (Temple)
https://youtu.be/qKCpP_48gv0 : New features and changes in NRLMOL code
https://youtu.be/RsrYCYsQ7f8 : Self-Interaction Correction for Solvated Anions
https://youtu.be/FFTMa0qP2xU : Strong correlation in molecular dimers
https://youtu.be/bcYta8eS8rQ : Embedding SIC into density functional calculations for large-scale SIC calculations
https://youtu.be/Qx9cQunPi78 : How do you not lose your mind with FLOSIC transition metal applications?
Projects
- LSIC (This page is visible publically)
Wiki Test page
This wiki is powered by MediaWiki
Consult the User's Guide for information on using the wiki software.