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Parsec 1.1 User's Guide 1
Prof. J. R. Chelikowsky's Research Group
October 6, 2005
- Contents
- What it is
- Getting the code
- Compiling Parsec
- Running Parsec
- Input options
- The real-space grid
- Diagonalization parameters
- Self-consistency and mixing parameters
- Global atom and pseudopotential parameters
- Parameters specific to each chemical element
- Electronic parameters
- Structural relaxation
- Molecular dynamics
- Polarizability
- Flags for additional input/output
- Post-processing tools
- Problems, unfinished work, etc.
- Index
- About this document ...
Murilo Tiago 2005-10-06