iterations/neb0_image02_iter12_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 0.144805014174E+04 0.14481E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.224460764803E+03 -0.12236E+04 -0.11470E+04 435 0.163E+02
DAV: 3 -0.362854251684E+03 -0.58732E+03 -0.58418E+03 345 0.114E+02
DAV: 4 -0.433458593760E+03 -0.70604E+02 -0.70367E+02 309 0.508E+01
DAV: 5 -0.435042662277E+03 -0.15841E+01 -0.15815E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389085479555E+03 0.45957E+02 -0.14800E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385618377978E+03 0.34671E+01 -0.13399E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.384140573847E+03 0.14778E+01 -0.20367E+00 336 0.381E+00 0.430E+00
DAV: 9 -0.383593019863E+03 0.54755E+00 -0.12089E+00 345 0.229E+00 0.118E+00
DAV: 10 -0.383524075148E+03 0.68945E-01 -0.13194E-01 327 0.103E+00 0.979E-01
DAV: 11 -0.383504269040E+03 0.19806E-01 -0.24965E-01 372 0.771E-01 0.849E-01
DAV: 12 -0.383497844373E+03 0.64247E-02 -0.20851E-01 318 0.612E-01 0.128E+00
DAV: 13 -0.383466141070E+03 0.31703E-01 -0.28710E-02 381 0.470E-01 0.445E-01
DAV: 14 -0.383461676461E+03 0.44646E-02 -0.21449E-02 300 0.324E-01 0.301E-01
DAV: 15 -0.383456954145E+03 0.47223E-02 -0.13132E-02 318 0.357E-01 0.291E-01
DAV: 16 -0.383459261611E+03 -0.23075E-02 -0.11405E-02 345 0.266E-01 0.309E-01
DAV: 17 -0.383465220213E+03 -0.59586E-02 -0.28573E-03 318 0.211E-01 0.142E-01
DAV: 18 -0.383475179890E+03 -0.99597E-02 -0.31001E-03 291 0.166E-01 0.114E-01
DAV: 19 -0.383484875037E+03 -0.96951E-02 -0.12719E-03 327 0.114E-01 0.129E-01
DAV: 20 -0.383492801868E+03 -0.79268E-02 -0.81904E-04 336 0.974E-02 0.492E-02
DAV: 21 -0.383499390087E+03 -0.65882E-02 -0.64101E-04 318 0.601E-02 0.389E-02
DAV: 22 -0.383504145038E+03 -0.47550E-02 -0.25183E-04 309 0.357E-02 0.206E-02
DAV: 23 -0.383507321033E+03 -0.31760E-02 -0.18374E-04 300 0.263E-02 0.248E-02
DAV: 24 -0.383508284962E+03 -0.96393E-03 -0.22384E-05 264 0.144E-02 0.824E-03
DAV: 25 -0.383509480717E+03 -0.11958E-02 -0.58538E-05 282 0.133E-02 0.807E-03
DAV: 26 -0.383509987628E+03 -0.50691E-03 -0.12454E-05 228 0.803E-03 0.533E-03
DAV: 27 -0.383510324679E+03 -0.33705E-03 -0.19576E-05 237 0.711E-03 0.274E-03
DAV: 28 -0.383510406058E+03 -0.81379E-04 -0.20413E-06 237 0.327E-03 0.245E-03
DAV: 29 -0.383510489152E+03 -0.83094E-04 -0.25359E-06 192 0.344E-03 0.172E-03
DAV: 30 -0.383510519626E+03 -0.30474E-04 -0.12411E-06 219 0.223E-03 0.185E-03
DAV: 31 -0.383510535258E+03 -0.15632E-04 -0.54327E-07 210 0.144E-03 0.146E-03
DAV: 32 -0.383510545790E+03 -0.10532E-04 -0.41791E-07 219 0.140E-03 0.603E-04
DAV: 33 -0.383510549790E+03 -0.39996E-05 -0.22227E-07 228 0.951E-04
1 F= -.38351055E+03 E0= -.38352715E+03 d E =0.498032E-01