running on 4 total cores distrk: each k-point on 4 cores, 1 groups distr: one band on 1 cores, 4 groups using from now: INCAR vasp.6.1.1 19Jun20 (build Jun 25 2020 01:51:59) gamma-only MD_VERSION_INFO: Compiled 2020-06-25T08:51:59-UTC in devlin.sd.materialsdesign. com:/home/medea2/data/build/wwolf/vasp6.1.1/13539/x86_64/src/src/build/gam from svn 13539 This VASP executable licensed from Materials Design, Inc. POSCAR found : 2 types and 241 ions scaLAPACK is switched off LDA part: xc-table for Pade appr. of Perdew POSCAR, INCAR and KPOINTS ok, starting setup FFT: planning ... WAVECAR not read entering main loop N E dE d eps ncg rms rms(c) DAV: 1 0.106872049630E+05 0.10687E+05 -0.27291E+05 1448 0.889E+02 DAV: 2 0.189591812042E+04 -0.87913E+04 -0.81297E+04 1992 0.198E+02 DAV: 3 -0.172021385849E+04 -0.36161E+04 -0.34879E+04 1608 0.137E+02 DAV: 4 -0.219595454430E+04 -0.47574E+03 -0.43530E+03 1504 0.596E+01 DAV: 5 -0.222115563366E+04 -0.25201E+02 -0.23792E+02 1440 0.121E+01 0.677E+01 DAV: 6 -0.211941958852E+04 0.10174E+03 -0.10662E+02 1368 0.109E+01 0.400E+01 DAV: 7 -0.209105003119E+04 0.28370E+02 -0.10439E+02 1344 0.109E+01 0.221E+01 DAV: 8 -0.209806445137E+04 -0.70144E+01 -0.29422E+01 1672 0.942E+00 0.283E+01 DAV: 9 -0.208475360991E+04 0.13311E+02 -0.32462E+01 1608 0.748E+00 0.188E+01 DAV: 10 -0.208217801486E+04 0.25756E+01 -0.13100E+01 1552 0.431E+00 0.117E+01 DAV: 11 -0.208334369720E+04 -0.11657E+01 -0.13098E+01 1576 0.358E+00 0.155E+01 DAV: 12 -0.208128782126E+04 0.20559E+01 -0.86445E+00 1528 0.309E+00 0.927E+00 DAV: 13 -0.208058583415E+04 0.70199E+00 -0.17369E+00 1472 0.137E+00 0.385E+00 DAV: 14 -0.208063328088E+04 -0.47447E-01 -0.84277E-01 1424 0.105E+00 0.461E+00 DAV: 15 -0.208053972017E+04 0.93561E-01 -0.10428E+00 1440 0.888E-01 0.540E+00 DAV: 16 -0.208059837761E+04 -0.58657E-01 -0.30590E+00 1400 0.509E-01 0.520E+00 DAV: 17 -0.208044499765E+04 0.15338E+00 -0.17131E+00 1440 0.455E-01 0.435E+00 DAV: 18 -0.208041230410E+04 0.32694E-01 -0.11462E+00 1376 0.326E-01 0.303E+00 DAV: 19 -0.208045052433E+04 -0.38220E-01 -0.88619E-01 1352 0.276E-01 0.433E+00 DAV: 20 -0.208037772152E+04 0.72803E-01 -0.23777E-01 1352 0.235E-01 0.112E+00 DAV: 21 -0.208040594996E+04 -0.28228E-01 -0.14442E-01 1352 0.204E-01 0.195E+00 DAV: 22 -0.208040884939E+04 -0.28994E-02 -0.39709E-02 1328 0.186E-01 0.107E+00 DAV: 23 -0.208044482217E+04 -0.35973E-01 -0.22862E-02 1352 0.138E-01 0.275E+00 DAV: 24 -0.208044853604E+04 -0.37139E-02 -0.21183E-02 1296 0.134E-01 0.118E+00 DAV: 25 -0.208046293332E+04 -0.14397E-01 -0.17481E-02 1320 0.103E-01 0.649E-01 DAV: 26 -0.208048610012E+04 -0.23167E-01 -0.85153E-03 1312 0.817E-02 0.382E-01 DAV: 27 -0.208050090994E+04 -0.14810E-01 -0.15370E-02 1312 0.705E-02 0.915E-01 DAV: 28 -0.208051096616E+04 -0.10056E-01 -0.15017E-02 1336 0.579E-02 0.268E-01 DAV: 29 -0.208051943478E+04 -0.84686E-02 -0.17868E-03 1352 0.437E-02 0.431E-01 DAV: 30 -0.208052710121E+04 -0.76664E-02 -0.17990E-03 1392 0.306E-02 0.212E-01 DAV: 31 -0.208053748646E+04 -0.10385E-01 -0.69893E-04 1352 0.279E-02 0.124E-01 DAV: 32 -0.208054201855E+04 -0.45321E-02 -0.32916E-04 1232 0.191E-02 0.914E-02 DAV: 33 -0.208055063659E+04 -0.86180E-02 -0.52275E-04 1200 0.198E-02 0.111E-01 DAV: 34 -0.208055243390E+04 -0.17973E-02 -0.12536E-04 1160 0.111E-02 0.567E-02 DAV: 35 -0.208055711216E+04 -0.46783E-02 -0.23090E-04 1088 0.121E-02 0.489E-02 DAV: 36 -0.208055816100E+04 -0.10488E-02 -0.72319E-05 1096 0.752E-03 0.510E-02 DAV: 37 -0.208055976462E+04 -0.16036E-02 -0.80700E-05 1096 0.725E-03 0.112E-01 DAV: 38 -0.208056045890E+04 -0.69429E-03 -0.33771E-05 992 0.554E-03 0.198E-02 DAV: 39 -0.208056080279E+04 -0.34388E-03 -0.72817E-06 808 0.312E-03 0.457E-02 DAV: 40 -0.208056119015E+04 -0.38736E-03 -0.55127E-06 848 0.264E-03 0.471E-03 DAV: 41 -0.208056137414E+04 -0.18399E-03 -0.17600E-06 772 0.181E-03 0.326E-02 DAV: 42 -0.208056154587E+04 -0.17173E-03 -0.11072E-06 800 0.166E-03 0.885E-03 DAV: 43 -0.208056161615E+04 -0.70277E-04 0.22103E-07 752 0.115E-03 0.867E-03 DAV: 44 -0.208056170120E+04 -0.85054E-04 0.39411E-07 760 0.103E-03 0.739E-03 DAV: 45 -0.208056172549E+04 -0.24288E-04 0.10775E-06 704 0.640E-04 0.222E-03 DAV: 46 -0.208056178006E+04 -0.54568E-04 0.87295E-07 736 0.707E-04 0.152E-03 DAV: 47 -0.208056179075E+04 -0.10691E-04 0.12661E-06 704 0.421E-04 0.219E-03