Next: NELM, NELMIN and NELMDL-tag
Up: The INCAR File
Previous: ICHARG-tag
Contents
Index
INIWAV-tag
INIWAV= 0 | 1
This flag is only used for start jobs (ISTART=0)
and has no meaning else.
It specifies how to set up the initial orbitals:
- 0
- Take 'jellium orbitals', this means simply: fill wavefunction
arrays with plane waves of lowest kinetic energy = lowest eigenvectors
for a constant potential ('jellium').
Mind: 'jellium' calculations reqiure a specific POTCAR, not included in the
standard potential database.
- 1
- Fill wavefunction arrays with random numbers. Use whenever possible.
Mind:
This is definitely the safest fool-proof switch, and unless you
really know that other initialization works as well use this switch.
N.B. Requests for support are to be addressed to: vasp.materialphysik@univie.ac.at