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 0.106894395985E+05 0.10689E+05 -0.27293E+05 1448 0.889E+02 DAV: 2 0.190854249047E+04 -0.87809E+04 -0.81298E+04 1984 0.198E+02 DAV: 3 -0.171738433792E+04 -0.36259E+04 -0.34940E+04 1616 0.137E+02 DAV: 4 -0.219578399116E+04 -0.47840E+03 -0.43593E+03 1504 0.596E+01 DAV: 5 -0.222124961343E+04 -0.25466E+02 -0.23759E+02 1464 0.121E+01 0.678E+01 DAV: 6 -0.211995208520E+04 0.10130E+03 -0.10629E+02 1368 0.110E+01 0.407E+01 DAV: 7 -0.210292701785E+04 0.17025E+02 -0.11233E+02 1448 0.130E+01 0.272E+01 DAV: 8 -0.209387396289E+04 0.90531E+01 -0.33125E+01 1568 0.993E+00 0.273E+01 DAV: 9 -0.208504789162E+04 0.88261E+01 -0.19919E+01 1472 0.748E+00 0.190E+01 DAV: 10 -0.208361415783E+04 0.14337E+01 -0.19860E+01 1472 0.496E+00 0.153E+01 DAV: 11 -0.208285046454E+04 0.76369E+00 -0.12146E+01 1472 0.359E+00 0.134E+01 DAV: 12 -0.208142708185E+04 0.14234E+01 -0.84191E+00 1448 0.299E+00 0.842E+00 DAV: 13 -0.208125394920E+04 0.17313E+00 -0.25244E+00 1456 0.211E+00 0.890E+00 DAV: 14 -0.208078602617E+04 0.46792E+00 -0.18458E+00 1416 0.136E+00 0.531E+00 DAV: 15 -0.208062044834E+04 0.16558E+00 -0.17098E+00 1464 0.996E-01 0.506E+00 DAV: 16 -0.208079936351E+04 -0.17892E+00 -0.18244E+00 1440 0.723E-01 0.532E+00 DAV: 17 -0.208061526676E+04 0.18410E+00 -0.47693E-01 1440 0.615E-01 0.453E+00 DAV: 18 -0.208048875668E+04 0.12651E+00 -0.31066E-01 1544 0.575E-01 0.262E+00 DAV: 19 -0.208049557884E+04 -0.68222E-02 -0.22313E-01 1424 0.422E-01 0.314E+00 DAV: 20 -0.208045514392E+04 0.40435E-01 -0.15045E-01 1336 0.349E-01 0.146E+00 DAV: 21 -0.208044500143E+04 0.10142E-01 -0.80588E-02 1336 0.254E-01 0.762E-01 DAV: 22 -0.208046307062E+04 -0.18069E-01 -0.37492E-02 1320 0.179E-01 0.968E-01 DAV: 23 -0.208047296463E+04 -0.98940E-02 -0.26332E-02 1304 0.155E-01 0.513E-01 DAV: 24 -0.208049105356E+04 -0.18089E-01 -0.17087E-02 1360 0.117E-01 0.745E-01 DAV: 25 -0.208052163830E+04 -0.30585E-01 -0.21341E-02 1288 0.117E-01 0.621E-01 DAV: 26 -0.208053498289E+04 -0.13345E-01 -0.17577E-02 1344 0.881E-02 0.918E-01 DAV: 27 -0.208055425948E+04 -0.19277E-01 -0.10642E-02 1320 0.861E-02 0.572E-01 DAV: 28 -0.208056649014E+04 -0.12231E-01 -0.63649E-03 1328 0.764E-02 0.250E-01 DAV: 29 -0.208057496353E+04 -0.84734E-02 -0.22751E-03 1368 0.479E-02 0.214E-01 DAV: 30 -0.208058614114E+04 -0.11178E-01 -0.17129E-03 1352 0.407E-02 0.109E-01 DAV: 31 -0.208059257648E+04 -0.64353E-02 -0.10083E-03 1416 0.276E-02 0.282E-01 DAV: 32 -0.208060297706E+04 -0.10401E-01 -0.70746E-04 1316 0.262E-02 0.108E-01 DAV: 33 -0.208060645481E+04 -0.34777E-02 -0.23194E-04 1304 0.169E-02 0.118E-01 DAV: 34 -0.208061306469E+04 -0.66099E-02 -0.30149E-04 1108 0.157E-02 0.480E-02 DAV: 35 -0.208061483450E+04 -0.17698E-02 -0.97641E-05 1160 0.995E-03 0.761E-02 DAV: 36 -0.208061851374E+04 -0.36792E-02 -0.17195E-04 1092 0.109E-02 0.375E-02 DAV: 37 -0.208061957534E+04 -0.10616E-02 -0.44421E-05 1064 0.672E-03 0.225E-02 DAV: 38 -0.208062140526E+04 -0.18299E-02 -0.70944E-05 1096 0.737E-03 0.309E-02 DAV: 39 -0.208062201096E+04 -0.60569E-03 -0.25148E-05 904 0.517E-03 0.117E-02 DAV: 40 -0.208062236641E+04 -0.35545E-03 -0.91318E-06 808 0.316E-03 0.183E-02 DAV: 41 -0.208062264552E+04 -0.27911E-03 -0.50949E-06 832 0.254E-03 0.805E-03 DAV: 42 -0.208062278734E+04 -0.14181E-03 -0.12953E-06 760 0.175E-03 0.138E-02 DAV: 43 -0.208062296494E+04 -0.17760E-03 -0.18097E-06 800 0.175E-03 0.235E-03 DAV: 44 -0.208062303060E+04 -0.65659E-04 0.37042E-07 728 0.114E-03 0.409E-03 DAV: 45 -0.208062311384E+04 -0.83238E-04 0.13647E-07 768 0.105E-03 0.179E-03 DAV: 46 -0.208062314011E+04 -0.26275E-04 0.10361E-06 716 0.618E-04 0.268E-03 DAV: 47 -0.208062318266E+04 -0.42547E-04 0.89274E-07 728 0.623E-04 0.184E-03