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 0.106893880427E+05 0.10689E+05 -0.27293E+05 1448 0.889E+02 DAV: 2 0.190282351398E+04 -0.87866E+04 -0.81279E+04 1992 0.198E+02 DAV: 3 -0.171637587966E+04 -0.36192E+04 -0.34920E+04 1600 0.137E+02 DAV: 4 -0.219714372419E+04 -0.48077E+03 -0.44093E+03 1528 0.599E+01 DAV: 5 -0.222163214063E+04 -0.24488E+02 -0.23270E+02 1456 0.119E+01 0.678E+01 DAV: 6 -0.212205185291E+04 0.99580E+02 -0.10725E+02 1368 0.112E+01 0.418E+01 DAV: 7 -0.211532827272E+04 0.67236E+01 -0.10086E+02 1608 0.160E+01 0.326E+01 DAV: 8 -0.210490126191E+04 0.10427E+02 -0.67594E+01 1576 0.134E+01 0.339E+01 DAV: 9 -0.208960384407E+04 0.15297E+02 -0.39495E+01 1480 0.963E+00 0.215E+01 DAV: 10 -0.208550911101E+04 0.40947E+01 -0.21780E+01 1480 0.619E+00 0.167E+01 DAV: 11 -0.208267191110E+04 0.28372E+01 -0.72638E+00 1472 0.357E+00 0.887E+00 DAV: 12 -0.208348250106E+04 -0.81059E+00 -0.63230E+00 1568 0.283E+00 0.114E+01 DAV: 13 -0.208262588389E+04 0.85662E+00 -0.80794E+00 1472 0.258E+00 0.938E+00 DAV: 14 -0.208201414410E+04 0.61174E+00 -0.64964E+00 1520 0.196E+00 0.573E+00 DAV: 15 -0.208207535902E+04 -0.61215E-01 -0.32761E+00 1448 0.145E+00 0.623E+00 DAV: 16 -0.208171118792E+04 0.36417E+00 -0.96671E-01 1440 0.100E+00 0.326E+00 DAV: 17 -0.208164951354E+04 0.61674E-01 -0.18509E-01 1432 0.495E-01 0.160E+00 DAV: 18 -0.208164219202E+04 0.73215E-02 -0.17189E-01 1416 0.386E-01 0.142E+00 DAV: 19 -0.208162818326E+04 0.14009E-01 -0.10733E-01 1392 0.293E-01 0.865E-01 DAV: 20 -0.208163602042E+04 -0.78372E-02 -0.72397E-02 1416 0.243E-01 0.110E+00 DAV: 21 -0.208163341576E+04 0.26047E-02 -0.72212E-02 1312 0.257E-01 0.847E-01 DAV: 22 -0.208163776325E+04 -0.43475E-02 -0.54186E-02 1344 0.203E-01 0.641E-01 DAV: 23 -0.208165614615E+04 -0.18383E-01 -0.53194E-02 1328 0.196E-01 0.795E-01 DAV: 24 -0.208166265326E+04 -0.65071E-02 -0.24318E-02 1280 0.147E-01 0.308E-01 DAV: 25 -0.208168198480E+04 -0.19332E-01 -0.91823E-03 1352 0.983E-02 0.531E-01 DAV: 26 -0.208170438167E+04 -0.22397E-01 -0.99121E-03 1320 0.950E-02 0.550E-01 DAV: 27 -0.208171989948E+04 -0.15518E-01 -0.94958E-03 1352 0.838E-02 0.443E-01 DAV: 28 -0.208174085671E+04 -0.20957E-01 -0.86940E-03 1328 0.873E-02 0.330E-01 DAV: 29 -0.208174801144E+04 -0.71547E-02 -0.26501E-03 1360 0.516E-02 0.317E-01 DAV: 30 -0.208175353833E+04 -0.55269E-02 -0.23169E-03 1376 0.425E-02 0.106E-01 DAV: 31 -0.208175991526E+04 -0.63769E-02 -0.88656E-04 1392 0.298E-02 0.141E-01 DAV: 32 -0.208177015565E+04 -0.10240E-01 -0.95330E-04 1352 0.293E-02 0.911E-02 DAV: 33 -0.208177414652E+04 -0.39909E-02 -0.32112E-04 1320 0.189E-02 0.867E-02 DAV: 34 -0.208178338502E+04 -0.92385E-02 -0.54304E-04 1192 0.211E-02 0.550E-02 DAV: 35 -0.208178528484E+04 -0.18998E-02 -0.10350E-04 1160 0.110E-02 0.294E-02 DAV: 36 -0.208178971470E+04 -0.44299E-02 -0.18728E-04 1096 0.114E-02 0.447E-02 DAV: 37 -0.208179096948E+04 -0.12548E-02 -0.41796E-05 1144 0.751E-03 0.162E-02 DAV: 38 -0.208179266352E+04 -0.16940E-02 -0.57112E-05 1112 0.688E-03 0.289E-02 DAV: 39 -0.208179346974E+04 -0.80621E-03 -0.26086E-05 1064 0.524E-03 0.872E-03 DAV: 40 -0.208179375439E+04 -0.28465E-03 -0.61471E-06 800 0.313E-03 0.131E-02 DAV: 41 -0.208179413101E+04 -0.37663E-03 -0.69224E-06 856 0.279E-03 0.537E-03 DAV: 42 -0.208179424697E+04 -0.11595E-03 -0.71718E-07 744 0.167E-03 0.652E-03 DAV: 43 -0.208179446856E+04 -0.22160E-03 -0.16576E-06 816 0.174E-03 0.299E-03 DAV: 44 -0.208179452619E+04 -0.57631E-04 0.42194E-07 728 0.103E-03 0.346E-03 DAV: 45 -0.208179463009E+04 -0.10390E-03 0.80137E-08 760 0.112E-03 0.230E-03 DAV: 46 -0.208179464979E+04 -0.19700E-04 0.10281E-06 720 0.613E-04 0.240E-03