Program POST-PROC v.5.1.1 starts on 16Apr2016 at 4:48:42 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 & OpenMP), running on 192 processor cores Number of MPI processes: 192 Threads/MPI process: 1 R & G space division: proc/nbgrp/npool/nimage = 192 Info: using nr1, nr2, nr3 values from input Info: using nr1s, nr2s, nr3s values from input IMPORTANT: XC functional enforced from input : Exchange-correlation = LDA ( 1 1 0 0 0 0) Any further DFT definition will be discarded Please, verify this is what you really want file Au.pz-dn-rrkjus_psl.0.1.UPF: wavefunction(s) 5D renormalized file Ge.pz-dn-rrkjus_psl.0.2.2.UPF: wavefunction(s) 3D renormalized Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 1081 432 107 214770 54276 6788 Max 1084 434 110 214780 54382 6798 Sum 207871 83125 20797 41236575 10431549 1304039 Tot 103936 41563 10399 negative rho (up, down): 8.448E-02 0.000E+00 Calling punch_plot, plot_num = 5 Use the true wfcs Sample bias = -1.0000 eV STM: 16.05s cpu time Writing data to file Au_Ge_17x17_STM_1.0 Reading data from file Au_Ge_17x17_STM_1.0 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine chdens (1): Not implemented, please read above %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ...