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7.12 INIWAV-tag

 

displaymath4535

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.



MASTER USER VASP
Mon Mar 29 10:38:29 MEST 1999