iterations/neb0_image06_iter13_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.145133915387E+04 0.14513E+04 -0.44226E+04 330 0.697E+02
DAV: 2 0.227807039678E+03 -0.12235E+04 -0.11475E+04 426 0.163E+02
DAV: 3 -0.365337322313E+03 -0.59314E+03 -0.58983E+03 354 0.114E+02
DAV: 4 -0.433176900091E+03 -0.67840E+02 -0.67585E+02 318 0.490E+01
DAV: 5 -0.434659904888E+03 -0.14830E+01 -0.14806E+01 318 0.757E+00 0.427E+01
DAV: 6 -0.388827801709E+03 0.45832E+02 -0.14837E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385389693981E+03 0.34381E+01 -0.13343E+01 345 0.782E+00 0.104E+01
DAV: 8 -0.383946066567E+03 0.14436E+01 -0.25228E+00 336 0.393E+00 0.438E+00
DAV: 9 -0.383410732191E+03 0.53533E+00 -0.16428E+00 336 0.243E+00 0.130E+00
DAV: 10 -0.383323941325E+03 0.86791E-01 -0.16399E-01 327 0.114E+00 0.117E+00
DAV: 11 -0.383308553328E+03 0.15388E-01 -0.52971E-01 354 0.954E-01 0.821E-01
DAV: 12 -0.383278588271E+03 0.29965E-01 -0.29350E-02 318 0.462E-01 0.769E-01
DAV: 13 -0.383263636453E+03 0.14952E-01 -0.57563E-02 381 0.562E-01 0.674E-01
DAV: 14 -0.383248294392E+03 0.15342E-01 -0.15169E-02 309 0.388E-01 0.247E-01
DAV: 15 -0.383248664040E+03 -0.36965E-03 -0.24968E-02 336 0.361E-01 0.338E-01
DAV: 16 -0.383250328859E+03 -0.16648E-02 -0.63245E-03 345 0.243E-01 0.155E-01
DAV: 17 -0.383258918303E+03 -0.85894E-02 -0.32686E-03 291 0.169E-01 0.133E-01
DAV: 18 -0.383270250301E+03 -0.11332E-01 -0.37701E-03 300 0.167E-01 0.754E-02
DAV: 19 -0.383280021766E+03 -0.97715E-02 -0.30409E-03 327 0.150E-01 0.141E-01
DAV: 20 -0.383284344735E+03 -0.43230E-02 -0.76548E-04 327 0.765E-02 0.627E-02
DAV: 21 -0.383289878369E+03 -0.55336E-02 -0.29229E-04 309 0.381E-02 0.472E-02
DAV: 22 -0.383294990821E+03 -0.51125E-02 -0.48129E-04 318 0.405E-02 0.233E-02
DAV: 23 -0.383297116261E+03 -0.21254E-02 -0.97782E-05 327 0.225E-02 0.184E-02
DAV: 24 -0.383298052046E+03 -0.93579E-03 -0.27608E-05 264 0.115E-02 0.212E-02
DAV: 25 -0.383299539426E+03 -0.14874E-02 -0.89938E-05 273 0.165E-02 0.110E-02
DAV: 26 -0.383299931074E+03 -0.39165E-03 -0.10244E-05 228 0.791E-03 0.496E-03
DAV: 27 -0.383300211770E+03 -0.28070E-03 -0.17427E-05 228 0.947E-03 0.610E-03
DAV: 28 -0.383300306220E+03 -0.94451E-04 -0.36112E-06 237 0.467E-03 0.314E-03
DAV: 29 -0.383300399691E+03 -0.93471E-04 -0.26420E-06 192 0.371E-03 0.186E-03
DAV: 30 -0.383300455778E+03 -0.56087E-04 -0.27482E-06 219 0.387E-03 0.228E-03
DAV: 31 -0.383300483809E+03 -0.28031E-04 -0.74498E-07 219 0.229E-03 0.134E-03
DAV: 32 -0.383300502763E+03 -0.18954E-04 -0.12890E-06 219 0.296E-03 0.127E-03
DAV: 33 -0.383300507787E+03 -0.50241E-05 -0.27992E-07 228 0.140E-03
1 F= -.38330051E+03 E0= -.38331728E+03 d E =0.503203E-01