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Paratec 5.1.12 Documentation
Bernd
Pfrommer
David
Roundy
Young-Gui
Yoon
David Raczkowski
November 25, 2003
- Contents
- How to get and run paratec
- Basic paratec usage
- Advanced relaxation parameters
- Advanced molecular dynamics parameters
- ensemble type
- extrapolation methods - for relaxation also
- Mass of extended system for canonical ensemble
- Advanced plane wave code parameters
- Additonal information on basic parameters
- New functional parameters
- Methods for minimizing the energy
- Getting extra outputs and other interesting stuff
- NMR shift
- Band structure computation
- Density of states (DOS)
- Momentum density
- GW Interface and Usage
- Visualization
- Spin polarized calculations and magnetic field
- Reading additional input
- Getting additional output
- Funky extra flags
- Helpful tools and stuff
- Erratum etc.
David Raczkowski 2003-11-25
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