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INIWAV-tag

INIWAV= 0 | 1

Default:    
INIWAV = 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