Program PW2WANNIER v.6.4.1 starts on 21May2020 at 17:36:10 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); "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017); 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 72 processors MPI processes distributed on 2 nodes R & G space division: proc/nbgrp/npool/nimage = 72 Reading nscf_save data Reading data from directory: ../temp_para_wannier/si-insb.save/ IMPORTANT: XC functional enforced from input : Exchange-correlation = PBE ( 1 4 3 4 0 0) Any further DFT definition will be discarded Please, verify this is what you really want file Si.rel-pbe-n-kjpaw_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized file In.rel-pbe-dn-kjpaw_psl.1.0.0.UPF: wavefunction(s) 5S 5P 5P 4D 4D renormalized file Sb.rel-pbe-n-kjpaw_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 833 416 115 60034 21226 3089 Max 835 417 117 60035 21229 3090 Sum 59991 30005 8305 4322519 1528341 222417 Spin CASE ( non-collinear ) Wannier mode is: standalone ----------------- *** Reading nnkp ----------------- Checking info from wannier.nnkp file - Real lattice is ok - Reciprocal lattice is ok - K-points are ok - Number of wannier functions is ok (848) - All guiding functions are given Projections: 0.750090 0.110962 0.131090 0 1 1 1.000000 0.750090 0.110962 0.131090 0 1 1 1.000000 0.750090 0.110962 0.131090 1 1 1 1.000000 0.750090 0.110962 0.131090 1 1 1 1.000000 0.750090 0.110962 0.131090 1 2 1 1.000000 0.750090 0.110962 0.131090 1 2 1 1.000000 0.750090 0.110962 0.131090 1 3 1 1.000000 0.750090 0.110962 0.131090 1 3 1 1.000000 0.750090 0.110962 0.131090 2 1 1 1.000000 0.750090 0.110962 0.131090 2 1 1 1.000000 0.750090 0.110962 0.131090 2 2 1 1.000000 0.750090 0.110962 0.131090 2 2 1 1.000000 0.750090 0.110962 0.131090 2 3 1 1.000000 0.750090 0.110962 0.131090 2 3 1 1.000000 0.750090 0.110962 0.131090 2 4 1 1.000000 0.750090 0.110962 0.131090 2 4 1 1.000000 0.750090 0.110962 0.131090 2 5 1 1.000000 0.750090 0.110962 0.131090 2 5 1 1.000000 0.500000 0.664939 -0.198908 0 1 1 1.000000 0.500000 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3.625589 0.469429 -3 1 1 1.000000 0.250120 3.625589 0.469429 -3 2 1 1.000000 0.250120 3.625589 0.469429 -3 2 1 1.000000 0.250120 3.625589 0.469429 -3 3 1 1.000000 0.250120 3.625589 0.469429 -3 3 1 1.000000 0.250120 3.625589 0.469429 -3 4 1 1.000000 0.250120 3.625589 0.469429 -3 4 1 1.000000 0.749930 4.396493 0.754792 -3 1 1 1.000000 0.749930 4.396493 0.754792 -3 1 1 1.000000 0.749930 4.396493 0.754792 -3 2 1 1.000000 0.749930 4.396493 0.754792 -3 2 1 1.000000 0.749930 4.396493 0.754792 -3 3 1 1.000000 0.749930 4.396493 0.754792 -3 3 1 1.000000 0.749930 4.396493 0.754792 -3 4 1 1.000000 0.749930 4.396493 0.754792 -3 4 1 1.000000 Reading data about k-point neighbours All neighbours are found Opening pp-files ----------------------------- *** A matrix is not computed ----------------------------- --------------- *** Compute M --------------- MMN: iknum = 16 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 MMN calculated -------------------------------- *** Spin matrix is not computed -------------------------------- ----------------------------------- *** Orbital terms are not computed ----------------------------------- ---------------- *** Write bands ---------------- ----------------------------- *** Plot info is not printed ----------------------------- ----------------------------- *** Parity info is not printed ----------------------------- ------------ *** Stop pp ------------ init_pw2wan : 151.40s CPU 398.51s WALL ( 1 calls) compute_mmn : 388357.10s CPU 390079.94s WALL ( 1 calls) PW2WANNIER : 4d11h55m CPU 4d12h27m WALL This run was terminated on: 6: 4: 8 26May2020 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=