./iterations/neb0_image02_iter3_OSZICAR.out output for 39: 512-->524:: F2 + Si-NH-Si on surface slat V5 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.209130898594E+04 0.20913E+04 -0.11609E+05 1704 0.105E+03
DAV: 2 -0.140374785257E+03 -0.22317E+04 -0.21438E+04 2144 0.261E+02
DAV: 3 -0.462624131846E+03 -0.32225E+03 -0.31720E+03 1920 0.107E+02
DAV: 4 -0.475966111188E+03 -0.13342E+02 -0.13289E+02 1952 0.228E+01
DAV: 5 -0.476409437126E+03 -0.44333E+00 -0.44298E+00 2112 0.372E+00 0.434E+01
DAV: 6 -0.454269187135E+03 0.22140E+02 -0.14890E+02 2048 0.318E+01 0.409E+01
DAV: 7 -0.452952022913E+03 0.13172E+01 -0.41638E+01 1800 0.142E+01 0.220E+01
DAV: 8 -0.446073799499E+03 0.68782E+01 -0.91602E+00 1880 0.873E+00 0.135E+01
DAV: 9 -0.447391202533E+03 -0.13174E+01 -0.17995E+01 2064 0.114E+01 0.139E+01
DAV: 10 -0.446282567658E+03 0.11086E+01 -0.32816E+00 1872 0.346E+00 0.111E+01
DAV: 11 -0.445931860807E+03 0.35071E+00 -0.21516E-01 1944 0.108E+00 0.102E+01
DAV: 12 -0.444833142983E+03 0.10987E+01 -0.91128E-01 2008 0.209E+00 0.704E+00
DAV: 13 -0.444437977831E+03 0.39517E+00 -0.40955E+00 2080 0.350E+00 0.135E+01
DAV: 14 -0.444036217834E+03 0.40176E+00 -0.90547E+00 1864 0.204E+00 0.388E+00
DAV: 15 -0.444151877315E+03 -0.11566E+00 -0.13834E-01 1904 0.872E-01 0.388E+00
DAV: 16 -0.443962810836E+03 0.18907E+00 -0.35664E-02 1960 0.761E-01 0.144E+00
DAV: 17 -0.443969617893E+03 -0.68071E-02 -0.39990E-02 1960 0.325E-01 0.881E-01
DAV: 18 -0.443966976980E+03 0.26409E-02 -0.71711E-03 1912 0.247E-01 0.581E-01
DAV: 19 -0.443975829418E+03 -0.88524E-02 -0.11070E-02 2096 0.411E-01 0.155E+00
DAV: 20 -0.443967342392E+03 0.84870E-02 -0.56862E-03 1872 0.172E-01 0.836E-01
DAV: 21 -0.443967574348E+03 -0.23196E-03 -0.10846E-03 2008 0.883E-02 0.449E-01
DAV: 22 -0.443971278509E+03 -0.37042E-02 -0.62599E-04 2080 0.807E-02 0.407E-01
DAV: 23 -0.443971882401E+03 -0.60389E-03 -0.55702E-04 2176 0.875E-02 0.266E-01
DAV: 24 -0.443973099280E+03 -0.12169E-02 -0.32215E-04 2056 0.510E-02 0.889E-02
DAV: 25 -0.443973903887E+03 -0.80461E-03 -0.18181E-04 1872 0.337E-02 0.404E-02
DAV: 26 -0.443974357168E+03 -0.45328E-03 -0.48529E-05 1656 0.154E-02 0.253E-02
DAV: 27 -0.443974905516E+03 -0.54835E-03 -0.49882E-05 1640 0.213E-02 0.126E-01
DAV: 28 -0.443975117779E+03 -0.21226E-03 -0.90440E-05 1656 0.269E-02 0.242E-02
DAV: 29 -0.443975251139E+03 -0.13336E-03 -0.32302E-05 1528 0.135E-02 0.270E-02
DAV: 30 -0.443975293224E+03 -0.42085E-04 -0.72010E-06 992 0.706E-03 0.204E-02
DAV: 31 -0.443975367162E+03 -0.73938E-04 -0.88647E-06 1272 0.679E-03 0.209E-02
DAV: 32 -0.443975399921E+03 -0.32759E-04 -0.47314E-06 1096 0.586E-03 0.235E-02
DAV: 33 -0.443975414437E+03 -0.14517E-04 -0.30165E-06 992 0.414E-03 0.133E-02
DAV: 34 -0.443975422536E+03 -0.80983E-05 -0.11967E-06 936 0.266E-03
1 F= -.44397542E+03 E0= -.44396635E+03 d E =-.272178E-01