Next:
About this manual
Up:
manual
Previous:
manual
 
Index
Contents
About this manual
Further reading
Important constants and conversion factors
History
CPMD Version 1
CPMD Version 2
CPMD Version 3
Citation
Installation
Running CPMD
Files
Input File Reference
Basic rules
Input Sections
List of Keywords by Sections
Alphabetic List of Keywords
Further details of the input
Postprocessing
Density files
xyz-files
TRAJECTORY-File
The MOVIE format
Hints and Tricks
Pseudopotentials and Plane Wave Cutoff
Wavefunction Initialization
Wavefunction Convergence
Cell Size for Calculations with SYMMETRY 0
Geometry Optimization
Molecular Dynamics
Restarts
TDDFT
Perturbation Theory / Linear Response
Metadynamics
Restricted Open Shell Calculations
Hints on using FEMD
The Davidson analysis and the shared electron number
CPMD/Gromos QM/MM Calculations
Gromacs/CPMD QM/MM Calculations
CPMD on parallel computers
Questions and Answers
How to Report Problems
Explanation of Warnings and Error Messages
Pseudopotentials
File Formats and Interpretation of Data
Input Parameter Values
References
Bibliography
Index
About this document ...
2006-03-29
cpmd@cpmd.org