[CPMD-list] WARNING! THE NUMBER OF GENERATED ATOMIC STATE IS LESS THAN THE NUMBER OF STATE

[Eung-Gun Kim]

Dear List Subscribers,

When calculating unoccupied states, the number of requested states sometimes
exceeds that of the so-called "generated atomic states."  In this case, a
warning message, such as the following, shows up in the output:

  ATRHO| WARNING! THE NUMBER OF GENERATED ATOMIC STATE (300)
  ATRHO| WARNING! IS LESS THAN THE NUMBER OF STATE (360)
  ATRHO| WARNING!    60 STATES ARE EQUAL TO ZERO
  ATRHO| USE SECTION BASIS TO SPECIFY ATOMIC BASIS
  ATRHO| CHARGE(R-SPACE):  302.000000      (G-SPACE):  302.000000

However, the calculation proceeds and produces all the requested states.  I am
wondering how those states beyond the limit are computed.

Thanks very much for reading.

Regards,

EG Kim