next up previous
Next: elec_temp Up: Data Previous: nspins

integer :: nbands

The maximum number of bands at any k-point and spin.

If NBANDS is present in the parameter file, the value of nbands is determined by this keyword.

If NEXTRA_BANDS is specified ${\tt nbands} = {\tt max(nup,ndown)} + {\rm NEXTRA\_BANDS}$.

If PERC_EXTRA_BANDS is specified ${\tt nbands} = {\tt max(nup,ndown)} \times ( 1 + \frac{\rm PERC\_EXTRA\_BANDS}{100})$.

If NBANDS, NEXTRA_BANDS and PERC_EXTRA_BANDS have not been specified and fix_occupancy=TRUE then ${\tt nbands} =
{\tt max(nup,ndown)}$ .If fix_occupancy=FALSE or $\verb ..., the default value of nbands will be the ceiling of the default value multiplied by 1.2.



Jonathan Yates 2004-04-16