Hi, This message was discussed before in the forum. It means unsufficient bands number which is defined as Number_of_valence_electrons*(1/2 + 20%). Just increase bands number (nbnd).
Bests, Eyvaz. --- ?? ???? <leoant21 at hotmail.com> wrote: > Dear all: > Now I am doing a 2*2 supercell calculation of > MgB2, however, there is a > warning like this: > > Warning: ef = 1.818386 is above the highest band at > k-point 490 > e = 1.780277 > > and there are also warning on other k-points, but > not all. Please tell me > why. Thank you. > > Regards. > > _________________________________________________________________ > ???????? MSN Explorer: > http://explorer.msn.com/lccn > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > __________________________________ Yahoo! Mail - PC Magazine Editors' Choice 2005 http://mail.yahoo.com
