next up previous contents
Next: 5.9 EXHCAR file Up: 5 Files used by Previous: 5.7 POSCAR file

5.8 CONTCAR file

After each ionic stepgif and at the end of each job a file CONTCAR is written. This file has a valid POSCAR format and can be used for 'continuation' jobs.

For MD-runs (IBRION=0) CONTCAR contains the actual coordinates, velocities and predictor-corrector coordinates needed as an input for the next MD-job.

For relaxation jobs CONTCAR contains the positions of the last ionic step of the relaxation If the relaxation run has not yet converged one should copy CONTCAR to POSCAR before continuing. For static calculations CONTCAR is identical to POSCAR.

Mon Mar 29 10:38:29 MEST 1999