I think that CG style diagonalization has not been parallelized like the Davidson one, so these lines at the beginning of your output sound strange to me.
> > > > Iterative solution of the eigenvalue problem > > > > a parallel distributed memory algorithm will be used, > > eigenstates matrixes will be distributed block like on > > ortho sub-group = 2* 2 procs > > > > Maybe this is not source of any problem, but you could try to run specifying -ndiag 1 as a flag to the pw.x executable. GS -- o ------------------------------------------------ o | Gabriele Sclauzero, PhD Student | | c/o: SISSA & CNR-INFM Democritos, | | via Beirut 2-4, 34014 Trieste (Italy) | | email: sclauzer at sissa.it | | phone: +39 040 3787 511 | | skype: gurlonotturno | o ------------------------------------------------ o
