On Aug 17, 2012, at 19:46 , Ruibin Liu wrote: > > When I tried to do a scf calculation for a Cd6Se6(NH3)6 system with > this input file > [...] > qe told me there is 'illegal instruction'. What is the problem? How > to fix it?
bad compilation. The same question was answered a few days ago. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222