On Jan 4, 2012, at 11:17 , Lorenzo Paulatto wrote: > In principle, if you set ntyp=0, nat=0 and nelec>0
tot_charge: nelec is obsolete. The number of bands nbnd is also needed. > and input_dft='whatever' the code will perform a calculation for a > free electron > gas in the unit cell you specify with the functional you selected. > [...] keep in mind > that this feature is very rarely used, so you could incur in some > unknown bug. in fact it isn't working any longer, since a long time P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222