Main Page

Welcome to ES Lab Wiki

Code Development

• Numerical HF video

• Code working status

• Embedding SIC into density functional calculations for large-scale SIC calculations -Dr.Chang (UTEP)

Tutorials

• Usage of basis converter for NRLMOL

• How to install Libnxc

• Usage of ECP on blockmesh code

• Magnetic Anisotropy Calculation

• Plotting density of states

• Tutorial: how to run vibrational calculation

• requesting TACC allocation

• Git instructions

• cp2k

Projects

• LSIC (This page is visible publically)

• Selectively orbital scaling self-interaction correction (SOSIC)

Wiki Test page

• Test page

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