Program PMW v.6.0 (svn rev. 13286) starts on 8Feb2017 at 9:26:53 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 2 processors R & G space division: proc/nbgrp/npool/nimage = 2 Reading data from directory: /home/pietro/espresso-svn/tempdir/feo_af.save Info: using nr1, nr2, nr3 values from input Info: using nr1, nr2, nr3 values from input IMPORTANT: XC functional enforced from input : Exchange-correlation = SLA PZ NOGX NOGC ( 1 1 0 0 0 0) Any further DFT definition will be discarded Please, verify this is what you really want file O.pz-rrkjus.UPF: wavefunction(s) 2S renormalized file Fe.pz-nd-rrkjus.UPF: wavefunction(s) 4S renormalized file Fe.pz-nd-rrkjus.UPF: wavefunction(s) 4S renormalized Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 530 269 81 8627 3055 539 Max 531 270 82 8628 3056 542 Sum 1061 539 163 17255 6111 1081 Generating pointlists ... new r_m : 0.2063 (alat units) 1.6892 (a.u.) for type 1 new r_m : 0.2063 (alat units) 1.6892 (a.u.) for type 2 new r_m : 0.2063 (alat units) 1.6892 (a.u.) for type 3 Check: negative/imaginary core charge= -0.000003 0.000000 Calling projection to compute Wannier projectors ... number of k-points 8 number of atomic wfcs with U 10 total number of atomic wfcs 20 number of Wannier functions 10 number of bands for projecting 12 total number bands 20 .hub files will be overwritten Orthogonality check k-point 1 : ok k-point 2 : ok k-point 3 : ok k-point 4 : ok k-point 5 : ok k-point 6 : ok k-point 7 : ok k-point 8 : ok PMW : 2.18s CPU 2.19s WALL This run was terminated on: 9:26:55 8Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=