[CPMD-list] Memory usage

[Salomon Billeter]

Dear all,

the default guess of the initial wavefunction takes quite some memory. A
random initial wavefunction (INITIAL WAVEFUNCTION RANDOM) or an initial
guess from a RESTART file saves you this memory / address space at
initialization. If you get through at least one wavefunction cycle but hit
memory limits later, you can also consider writing a RESTART file just
after initialization and do the real job from the RESTART file.

Best regards,
Salomon