iterations/neb0_image06_iter22_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.162062035874E+04 0.16206E+04 -0.42283E+04 306 0.697E+02
DAV: 2 0.300995316545E+03 -0.13196E+04 -0.12412E+04 420 0.168E+02
DAV: 3 -0.358042091073E+03 -0.65904E+03 -0.65495E+03 364 0.123E+02
DAV: 4 -0.433253969222E+03 -0.75212E+02 -0.74938E+02 308 0.528E+01
DAV: 5 -0.434941356187E+03 -0.16874E+01 -0.16850E+01 348 0.810E+00 0.427E+01
DAV: 6 -0.388927910089E+03 0.46013E+02 -0.15057E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385438492254E+03 0.34894E+01 -0.12584E+01 332 0.772E+00 0.104E+01
DAV: 8 -0.384021113506E+03 0.14174E+01 -0.27371E+00 332 0.392E+00 0.433E+00
DAV: 9 -0.383449813333E+03 0.57130E+00 -0.62007E-01 332 0.197E+00 0.100E+00
DAV: 10 -0.383396183382E+03 0.53630E-01 -0.14717E-01 324 0.965E-01 0.819E-01
DAV: 11 -0.383376467029E+03 0.19716E-01 -0.33290E-02 316 0.458E-01 0.588E-01
DAV: 12 -0.383362450761E+03 0.14016E-01 -0.52009E-02 324 0.408E-01 0.565E-01
DAV: 13 -0.383350841216E+03 0.11610E-01 -0.89001E-02 332 0.441E-01 0.392E-01
DAV: 14 -0.383351980876E+03 -0.11397E-02 -0.27271E-02 308 0.287E-01 0.256E-01
DAV: 15 -0.383355495010E+03 -0.35141E-02 -0.68588E-03 292 0.235E-01 0.225E-01
DAV: 16 -0.383362749695E+03 -0.72547E-02 -0.33544E-03 308 0.151E-01 0.111E-01
DAV: 17 -0.383376283115E+03 -0.13533E-01 -0.38264E-03 276 0.164E-01 0.133E-01
DAV: 18 -0.383384840509E+03 -0.85574E-02 -0.24305E-03 316 0.125E-01 0.546E-02
DAV: 19 -0.383393954935E+03 -0.91144E-02 -0.84229E-04 300 0.680E-02 0.378E-02
DAV: 20 -0.383400045680E+03 -0.60907E-02 -0.30971E-04 316 0.415E-02 0.267E-02
DAV: 21 -0.383404250399E+03 -0.42047E-02 -0.21736E-04 308 0.342E-02 0.216E-02
DAV: 22 -0.383406605986E+03 -0.23556E-02 -0.13168E-04 332 0.272E-02 0.140E-02
DAV: 23 -0.383407738703E+03 -0.11327E-02 -0.54526E-05 292 0.190E-02 0.821E-03
DAV: 24 -0.383408540788E+03 -0.80208E-03 -0.42477E-05 276 0.177E-02 0.569E-03
DAV: 25 -0.383408889076E+03 -0.34829E-03 -0.28753E-05 276 0.146E-02 0.444E-03
DAV: 26 -0.383408998409E+03 -0.10933E-03 -0.81648E-06 236 0.900E-03 0.453E-03
DAV: 27 -0.383409090845E+03 -0.92436E-04 -0.45179E-06 212 0.765E-03 0.309E-03
DAV: 28 -0.383409142005E+03 -0.51160E-04 -0.70354E-06 228 0.803E-03 0.176E-03
DAV: 29 -0.383409161657E+03 -0.19651E-04 -0.41147E-06 220 0.661E-03 0.159E-03
DAV: 30 -0.383409173828E+03 -0.12172E-04 -0.20411E-06 228 0.413E-03 0.140E-03
DAV: 31 -0.383409181444E+03 -0.76153E-05 -0.11347E-06 212 0.293E-03
1 F= -.38340918E+03 E0= -.38342267E+03 d E =0.404729E-01