iterations/neb0_image02_iter22_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 0.144806358074E+04 0.14481E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.224459653456E+03 -0.12236E+04 -0.11470E+04 435 0.163E+02
DAV: 3 -0.362852535624E+03 -0.58731E+03 -0.58418E+03 345 0.114E+02
DAV: 4 -0.433463109222E+03 -0.70611E+02 -0.70373E+02 309 0.508E+01
DAV: 5 -0.435047013477E+03 -0.15839E+01 -0.15813E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389088330331E+03 0.45959E+02 -0.14802E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385622805849E+03 0.34655E+01 -0.13540E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384144499334E+03 0.14783E+01 -0.20748E+00 327 0.383E+00 0.432E+00
DAV: 9 -0.383605771699E+03 0.53873E+00 -0.16553E+00 345 0.242E+00 0.140E+00
DAV: 10 -0.383546044393E+03 0.59727E-01 -0.44758E-01 318 0.117E+00 0.100E+00
DAV: 11 -0.383507567888E+03 0.38477E-01 -0.11851E-01 336 0.650E-01 0.821E-01
DAV: 12 -0.383492569241E+03 0.14999E-01 -0.14802E-01 345 0.718E-01 0.950E-01
DAV: 13 -0.383476289975E+03 0.16279E-01 -0.18630E-01 372 0.540E-01 0.732E-01
DAV: 14 -0.383462385926E+03 0.13904E-01 -0.67676E-02 336 0.389E-01 0.346E-01
DAV: 15 -0.383460254334E+03 0.21316E-02 -0.24163E-02 309 0.382E-01 0.362E-01
DAV: 16 -0.383463095202E+03 -0.28409E-02 -0.15685E-02 336 0.264E-01 0.240E-01
DAV: 17 -0.383468434062E+03 -0.53389E-02 -0.34209E-03 291 0.185E-01 0.177E-01
DAV: 18 -0.383479905409E+03 -0.11471E-01 -0.90490E-03 354 0.238E-01 0.302E-01
DAV: 19 -0.383479016171E+03 0.88924E-03 -0.17392E-03 327 0.111E-01 0.145E-01
DAV: 20 -0.383484882977E+03 -0.58668E-02 -0.83124E-04 291 0.750E-02 0.154E-01
DAV: 21 -0.383493000530E+03 -0.81176E-02 -0.12530E-03 309 0.945E-02 0.103E-01
DAV: 22 -0.383498179733E+03 -0.51792E-02 -0.55783E-04 327 0.650E-02 0.527E-02
DAV: 23 -0.383503156935E+03 -0.49772E-02 -0.26012E-04 300 0.425E-02 0.366E-02
DAV: 24 -0.383506720240E+03 -0.35633E-02 -0.26325E-04 318 0.347E-02 0.502E-02
DAV: 25 -0.383508039293E+03 -0.13191E-02 -0.84064E-05 372 0.234E-02 0.167E-02
DAV: 26 -0.383509232041E+03 -0.11927E-02 -0.56780E-05 291 0.155E-02 0.940E-03
DAV: 27 -0.383510193483E+03 -0.96144E-03 -0.46449E-05 291 0.118E-02 0.142E-02
DAV: 28 -0.383510521289E+03 -0.32781E-03 -0.96298E-06 237 0.686E-03 0.705E-03
DAV: 29 -0.383510762056E+03 -0.24077E-03 -0.13061E-05 219 0.633E-03 0.346E-03
DAV: 30 -0.383510835000E+03 -0.72944E-04 -0.22332E-06 228 0.368E-03 0.214E-03
DAV: 31 -0.383510914664E+03 -0.79664E-04 -0.22340E-06 201 0.300E-03 0.162E-03
DAV: 32 -0.383510956173E+03 -0.41510E-04 -0.16682E-06 219 0.244E-03 0.167E-03
DAV: 33 -0.383510984105E+03 -0.27932E-04 -0.11016E-06 201 0.204E-03 0.159E-03
DAV: 34 -0.383510989708E+03 -0.56029E-05 -0.39355E-07 228 0.112E-03
1 F= -.38351099E+03 E0= -.38352765E+03 d E =0.499859E-01