Files

Incomplete list of the files used by CPMD.

 
RESTART		  Old restart file

RESTART.x		  Old/New restart files

LATEST		  Info file on the last restart file

file.in		  Input file

ENERGIES		  All energies along the trajectory

TRAJECTORY		  All ionic positions and velocities

          		  (trajectory)

MOVIE  		  Atomic coordinates in Movie format

DENSITY.x		  Charge density in Fourier space

HESSIAN		  Approximate hessian

GEOMETRY		  Current ionic positions and velocities

FINDIF		  Positions and gradients for finite

          		  difference calculations

STRESS		  The "trajectory" of stress tensors

CELL		 The "trajectory" of the unit cell

CONSTRAINT		  The "trajectory" of constraint forces

MOLVIB		  The matrix of second derivatives,

       		    as used by the program MOLVIB

DIPOLE		  The "trajectory" of dipole moments,

Existing files are overwritten, except for 'trajectory' type files, they are appended.