Program epsilon v.4.3 starts on 23Jul2012 at 20:31:30 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/wiki/index.php/Citing_Quantum-ESPRESSO Parallel version (MPI), running on 1 processors Reading input file... Broadcasting variables... Reading PW restart file... Info: using nr1, nr2, nr3 values from input Info: using nr1s, nr2s, nr3s values from input Stick Mesh ---------- nst = 11221, nstw = 3399, nsts = 11221 n.st n.stw n.sts n.g n.gw n.gs min 11221 3399 11221 1367599 227247 1367599 max 11221 3399 11221 1367599 227247 1367599 11221 3399 11221 1367599 227247 1367599 negative rho (up, down): 0.120E-01 0.000E+00 XC functional enforced from input : Exchange-correlation = SLA PW PBE PBE (1434) EXX-fraction = 0.00 !!! Any further DFT definition will be discarded !!! Please, verify this is what you really want ! EXX fraction changed: 0.00 EXX Screening parameter changed: 0.0000000 Fermi energy [eV] is: -5.28316 The system is a dielectric... Performing eps calculation... %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% from epsilon : error # 1 ban band number %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... [unset]: aborting job: application called MPI_Abort(MPI_COMM_WORLD, 0) - process 0