On Thu, 2014-09-18 at 10:40 +0200, Valentina Cantatore wrote: > The results obtained are not of the same order of magnitude of > those obtained with a gaussian basis set on the same systems.
with or without basis-set superposition error corrections (usually needed with localized orbitals)? P. > Where am I wrong? Is it possible run this kind of calculation with > Quantum Espresso? Thank you > > > Valentina Cantatore > PostDoc Researcher @ Universit? del Piemonte Orientale > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
