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DFT Overview
Texts
Presentations
Sandia Presentations
Codes
QUantum Electronic STructure (SeqQuest)
SeQuest: Thanks to…
SeqQuest News
SeqQuest Features
SeqQuest Background
SeqQuest Bibliography
SeqQuest Bug Reports
SeqQuest Version History
SeqQuest User Guides
SeqQuest Input Reference Manual
SeqQuest input: Command Options
SeqQuest input: Setup phase data
SeQuest input – Run Phase
SeqQuest Input: Band Structure
SeqQuest input – Molecular dynamics
SeqQuest input- Geometry relaxation
SeqQuest input: Cell Optimization
SeqQuest input – NEB transition state finder
SeqQuest Analysis Tools
PROP1E: populations and density of states
SeqQuest Cluster Molecule Tutorial
Slab Surface Tutorial for SeqQuest: CO/Ru(0001)
Bulk systems tutorial for SeqQuest: Hexagonal GaN
SeqQuest NEB Tutorial
SeqQuest Programming Style Manual
Bulk systems tutorial for SeqQuest: Hexagonal GaN
SeqQuest: Job Manual
SeqQuest: File Reference Manual
SeqQuest Atom Library
SeqQuest Atom File Format
SeqQuest Build Guide
SeqQuest band structure example
SeqQuest Electronic Structure Code
SeqQuest Developer Guides
Socorro
Socorro Users Guide
Socorro Download
Socorro FAQ
Socorro Links
Socorro Contact Info
Socorro Mailing Lists
DFT Codes and Websites
Functionals
Local Density Approximation
Meta Generalized Gradient Approximation
Generalized Gradient Approximation
Hybrids
Surface Intrinsic Errors
Contact
Contact
Ann Mattsson
– DFT Project Lead
Peter Schultz
– Quest Project Lead
Alan Wright
– Socorro Project Lead