On Mon, 27 Nov 2006, Stefano Baroni wrote: > which system? > we are decent physicists/chemists, but very poor as psychics ;-) > S.
I don't know what it means "psychics" but for sure we are all "psychopatic" because one of professors said: "Who works with legs has sic legs, who works with a head has a sic head". Gosia > > On Nov 27, 2006, at 12:23 PM, Guoying Gao wrote: > >> Dear everyone, >> When I did scf calculation with experimental parameters >> (experimental pressure 80GPa), the output file gave P=164GPa, the bond >> length is near equivalent to that of experiment, why so large diverge >> in pressure? >> Anyone who knows the reason is welcomed. Thanks in advance. >> >> gao >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://www.democritos.it/mailman/listinfo/pw_forum > > --- > Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center - Trieste > [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype) > > Please, if possible, don't send me MS Word or PowerPoint attachments > Why? See: http://www.gnu.org/philosophy/no-word-attachments.html > > > >
