ISTART
ISTART = 0 | 1 | 2 | 3
| Default: ISTART | = 1 | if WAVECAR exists |
| = 0 | else |
Description: ISTART determines whether or not to read the WAVECAR file.
- ISTART=0
- Start job: "begin from scratch". Initialize the orbitals according to the flag INIWAV.
- ISTART=1
- Continuation job: "restart with constant energy cut-off". Orbitals are read from the WAVECAR file (usage is restricted in the parallel version).
- The set of plane waves will be redefined and re-padded according to the new cell size/shape (POSCAR) and the new plane wave cut-off (INCAR).
- These values might differ from the old values, that are stored in the WAVECAR file.
- If the WAVECAR file is missing or if the WAVECAR file contains an inappropriate number of bands and/or k-points the flag ISTART will be set to 0 (see above).