iterations/neb0_image02_iter45_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 0.144839249605E+04 0.14484E+04 -0.44196E+04 330 0.697E+02
DAV: 2 0.224418344417E+03 -0.12240E+04 -0.11469E+04 435 0.163E+02
DAV: 3 -0.363020883685E+03 -0.58744E+03 -0.58430E+03 345 0.114E+02
DAV: 4 -0.433515419129E+03 -0.70495E+02 -0.70265E+02 309 0.508E+01
DAV: 5 -0.435098249049E+03 -0.15828E+01 -0.15802E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389076545234E+03 0.46022E+02 -0.14821E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385588967925E+03 0.34876E+01 -0.12874E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.384151522289E+03 0.14374E+01 -0.25155E+00 345 0.385E+00 0.434E+00
DAV: 9 -0.383595472135E+03 0.55605E+00 -0.13260E+00 336 0.231E+00 0.126E+00
DAV: 10 -0.383516995989E+03 0.78476E-01 -0.29725E-01 336 0.118E+00 0.996E-01
DAV: 11 -0.383494913828E+03 0.22082E-01 -0.72628E-02 318 0.585E-01 0.818E-01
DAV: 12 -0.383470037153E+03 0.24877E-01 -0.43513E-02 336 0.539E-01 0.721E-01
DAV: 13 -0.383455139668E+03 0.14897E-01 -0.10995E-01 336 0.528E-01 0.767E-01
DAV: 14 -0.383447979533E+03 0.71601E-02 -0.69982E-03 336 0.275E-01 0.350E-01
DAV: 15 -0.383445662810E+03 0.23167E-02 -0.11733E-02 300 0.324E-01 0.292E-01
DAV: 16 -0.383451580550E+03 -0.59177E-02 -0.99298E-03 336 0.276E-01 0.291E-01
DAV: 17 -0.383453713084E+03 -0.21325E-02 -0.59152E-03 309 0.171E-01 0.129E-01
DAV: 18 -0.383467080586E+03 -0.13368E-01 -0.36488E-03 291 0.191E-01 0.170E-01
DAV: 19 -0.383475808049E+03 -0.87275E-02 -0.26678E-03 318 0.165E-01 0.872E-02
DAV: 20 -0.383480570558E+03 -0.47625E-02 -0.87994E-04 327 0.838E-02 0.715E-02
DAV: 21 -0.383486189851E+03 -0.56193E-02 -0.40616E-04 318 0.540E-02 0.767E-02
DAV: 22 -0.383492308279E+03 -0.61184E-02 -0.42974E-04 327 0.541E-02 0.527E-02
DAV: 23 -0.383494596538E+03 -0.22883E-02 -0.12266E-04 327 0.300E-02 0.192E-02
DAV: 24 -0.383497296834E+03 -0.27003E-02 -0.15969E-04 309 0.251E-02 0.233E-02
DAV: 25 -0.383498310472E+03 -0.10136E-02 -0.34142E-05 300 0.147E-02 0.152E-02
DAV: 26 -0.383499060655E+03 -0.75018E-03 -0.41200E-05 273 0.149E-02 0.117E-02
DAV: 27 -0.383499278018E+03 -0.21736E-03 -0.54096E-06 237 0.598E-03 0.787E-03
DAV: 28 -0.383499552211E+03 -0.27419E-03 -0.10824E-05 201 0.700E-03 0.430E-03
DAV: 29 -0.383499643590E+03 -0.91379E-04 -0.29734E-06 228 0.405E-03 0.217E-03
DAV: 30 -0.383499710641E+03 -0.67051E-04 -0.22430E-06 219 0.361E-03 0.143E-03
DAV: 31 -0.383499749353E+03 -0.38712E-04 -0.14091E-06 201 0.242E-03 0.140E-03
DAV: 32 -0.383499770778E+03 -0.21426E-04 -0.71605E-07 219 0.193E-03 0.782E-04
DAV: 33 -0.383499785523E+03 -0.14744E-04 -0.72508E-07 192 0.192E-03 0.876E-04
DAV: 34 -0.383499790731E+03 -0.52077E-05 -0.24575E-07 228 0.134E-03
1 F= -.38349979E+03 E0= -.38351622E+03 d E =0.492746E-01