INIWAV-tag

$$INIWAV = 0 \vert 1$$

Default :

1

This flag is only used for start jobs (ISTART=0) and has no meaning else. It specifies how to set up the initial wave functions:

0

Take 'jellium wave functions', this means simply: fill wavefunction arrays with plane waves of lowest kinetic energy = lowest eigenvectors for a constant potential ('jellium')

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.