iterations/neb0_image03_iter6_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 0.144884108834E+04 0.14488E+04 -0.44195E+04 330 0.697E+02
DAV: 2 0.224757718319E+03 -0.12241E+04 -0.11483E+04 435 0.163E+02
DAV: 3 -0.362445904915E+03 -0.58720E+03 -0.58356E+03 345 0.114E+02
DAV: 4 -0.433386281191E+03 -0.70940E+02 -0.70709E+02 309 0.508E+01
DAV: 5 -0.434977191776E+03 -0.15909E+01 -0.15882E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389049037193E+03 0.45928E+02 -0.14793E+02 318 0.285E+01 0.208E+01
DAV: 7 -0.385601478682E+03 0.34476E+01 -0.13586E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384126385597E+03 0.14751E+01 -0.19771E+00 336 0.382E+00 0.430E+00
DAV: 9 -0.383578972506E+03 0.54741E+00 -0.10680E+00 327 0.229E+00 0.117E+00
DAV: 10 -0.383522295857E+03 0.56677E-01 -0.24058E-01 327 0.100E+00 0.112E+00
DAV: 11 -0.383498134251E+03 0.24162E-01 -0.26015E-01 327 0.617E-01 0.920E-01
DAV: 12 -0.383478962497E+03 0.19172E-01 -0.14462E-01 372 0.616E-01 0.110E+00
DAV: 13 -0.383460653640E+03 0.18309E-01 -0.10205E-01 390 0.482E-01 0.568E-01
DAV: 14 -0.383446596733E+03 0.14057E-01 -0.22823E-02 318 0.454E-01 0.437E-01
DAV: 15 -0.383444066525E+03 0.25302E-02 -0.16068E-02 327 0.268E-01 0.183E-01
DAV: 16 -0.383447313672E+03 -0.32471E-02 -0.70208E-03 291 0.257E-01 0.144E-01
DAV: 17 -0.383458101924E+03 -0.10788E-01 -0.41000E-03 345 0.217E-01 0.264E-01
DAV: 18 -0.383469388295E+03 -0.11286E-01 -0.32962E-03 309 0.213E-01 0.660E-02
DAV: 19 -0.383477819973E+03 -0.84317E-02 -0.26736E-03 327 0.145E-01 0.117E-01
DAV: 20 -0.383481404514E+03 -0.35845E-02 -0.35332E-04 327 0.472E-02 0.971E-02
DAV: 21 -0.383485906428E+03 -0.45019E-02 -0.19369E-04 300 0.313E-02 0.712E-02
DAV: 22 -0.383492643669E+03 -0.67372E-02 -0.53886E-04 327 0.544E-02 0.364E-02
DAV: 23 -0.383495592646E+03 -0.29490E-02 -0.16302E-04 309 0.311E-02 0.198E-02
DAV: 24 -0.383496418027E+03 -0.82538E-03 -0.33922E-05 291 0.130E-02 0.183E-02
DAV: 25 -0.383497500104E+03 -0.10821E-02 -0.46571E-05 291 0.141E-02 0.736E-03
DAV: 26 -0.383498241437E+03 -0.74133E-03 -0.29537E-05 264 0.112E-02 0.746E-03
DAV: 27 -0.383498501070E+03 -0.25963E-03 -0.79203E-06 237 0.649E-03 0.408E-03
DAV: 28 -0.383498667865E+03 -0.16679E-03 -0.61554E-06 219 0.515E-03 0.266E-03
DAV: 29 -0.383498764196E+03 -0.96331E-04 -0.33305E-06 228 0.400E-03 0.251E-03
DAV: 30 -0.383498832589E+03 -0.68394E-04 -0.25370E-06 201 0.374E-03 0.166E-03
DAV: 31 -0.383498853452E+03 -0.20863E-04 -0.18874E-06 228 0.345E-03 0.151E-03
DAV: 32 -0.383498860543E+03 -0.70906E-05 -0.47728E-07 237 0.198E-03
1 F= -.38349886E+03 E0= -.38351554E+03 d E =0.500470E-01