On Mon, 2013-04-08 at 15:55 +0200, Cristian Degli Esposti Boschi wrote: > The question is on how the code works internally; at the beginning > of the output there is a warning "Any further DFT definition will be > discarded", and I wonder what it means exactly...
it means that what is specified as "input_dft" is used, what is written in the pseudopotential files is discarded. P. -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
