Program PHONON v.5.2.0 starts on 5Sep2015 at 10:58:57 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 Serial version Reading data from directory: /home/mcv/build/qe/PbTiO3/PBTOT/PbTiO3.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 G-vector sticks info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Sum 1007 1007 323 20591 20591 3761 Dynamical matrices for ( 4, 4, 4) uniform grid of q-points ( 36q-points): N xq(1) xq(2) xq(3) 1 0.000000000 0.000000000 0.000000000 2 -0.250000000 0.000000000 0.234901172 3 0.500000000 0.000000000 -0.469802344 4 0.000000000 0.250000000 0.234901172 5 -0.250000000 0.250000000 0.469802344 6 0.500000000 0.250000000 -0.234901172 7 0.250000000 0.250000000 0.000000000 8 0.000000000 -0.500000000 -0.469802344 9 -0.250000000 -0.500000000 -0.234901172 10 0.500000000 -0.500000000 -0.939604687 11 0.250000000 -0.250000000 0.000000000 12 0.000000000 -0.250000000 0.234901172 13 0.750000000 -0.250000000 -0.469802344 14 0.500000000 -0.250000000 -0.234901172 15 0.250000000 0.000000000 0.234901172 16 0.000000000 0.000000000 0.469802344 17 0.750000000 0.000000000 -0.234901172 18 0.500000000 0.000000000 0.000000000 19 0.250000000 -0.750000000 -0.469802344 20 0.000000000 -0.750000000 -0.234901172 21 0.750000000 -0.750000000 -0.939604687 22 0.500000000 -0.750000000 -0.704703516 23 0.250000000 -0.500000000 -0.234901172 24 0.000000000 -0.500000000 0.000000000 25 0.750000000 -0.500000000 -0.704703516 26 0.500000000 -0.500000000 -0.469802344 27 -0.500000000 0.500000000 0.000000000 28 -0.750000000 0.500000000 0.234901172 29 0.000000000 0.500000000 -0.469802344 30 -0.500000000 0.750000000 0.234901172 31 -0.750000000 0.750000000 0.469802344 32 0.000000000 0.750000000 -0.234901172 33 -0.250000000 0.750000000 0.000000000 34 -0.500000000 0.000000000 -0.469802344 35 -0.750000000 0.000000000 -0.234901172 36 0.000000000 0.000000000 -0.939604687 Calculation of q = 0.0000000 0.0000000 0.0000000 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine phq_setup (1): phonon + tetrahedra not implemented %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ...