On Thu, 2012-02-23 at 02:26 +0100, giacsport at libero.it wrote: > For this one I get (!!) > > highest occupied, lowest unoccupied level (ev): 36.4937 31.9513 > (!!!)
have you tried with conventional DFT first? P. -- Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
