On 08/08/2012 16:18, Elie M wrote: > Hello all, > > &system > ibrav= 0, celldm(1)= 9.008277, nat=8, ntyp= 2, ecutwfc =32, > ecutrho=288,occupations='smearing', smearing='mv',degauss=0.02
your unit cell is not well defined - ibrav 0 requires cell_parameters http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html#id1486403 ---------------------------------------------------------------------- Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL