"Codes for Electronic Structure Calculations on NewYorkBlue"
Following a brief discussion of electronic structure methods, including density functional and ab-initio methods I will provide a survey of the codes available for electronic structure on NewYorkBlue. Currently these include NWChem, Quantum Espresso, CPMD, and GAMESS. We expect to add VASP and WIEN2k soon. further information is available at teh following web sites. Several examples of actual runs and outputs will be given.
Quantum Espresso: www.quantum-espresso.org