iterations/neb0_image07_iter11_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 0.145260405350E+04 0.14526E+04 -0.44246E+04 330 0.697E+02
DAV: 2 0.229106766107E+03 -0.12235E+04 -0.11477E+04 426 0.163E+02
DAV: 3 -0.361171672979E+03 -0.59028E+03 -0.58687E+03 345 0.114E+02
DAV: 4 -0.432955773915E+03 -0.71784E+02 -0.71520E+02 318 0.512E+01
DAV: 5 -0.434576449557E+03 -0.16207E+01 -0.16180E+01 318 0.792E+00 0.427E+01
DAV: 6 -0.388708124885E+03 0.45868E+02 -0.14747E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385237041710E+03 0.34711E+01 -0.13219E+01 345 0.783E+00 0.104E+01
DAV: 8 -0.383801974336E+03 0.14351E+01 -0.25098E+00 345 0.392E+00 0.434E+00
DAV: 9 -0.383272220289E+03 0.52975E+00 -0.15190E+00 336 0.237E+00 0.129E+00
DAV: 10 -0.383181674380E+03 0.90546E-01 -0.15947E-01 327 0.113E+00 0.119E+00
DAV: 11 -0.383171814815E+03 0.98596E-02 -0.51356E-01 372 0.949E-01 0.890E-01
DAV: 12 -0.383140099288E+03 0.31716E-01 -0.60287E-02 327 0.488E-01 0.778E-01
DAV: 13 -0.383135221831E+03 0.48775E-02 -0.12376E-01 372 0.441E-01 0.829E-01
DAV: 14 -0.383112729558E+03 0.22492E-01 -0.15148E-02 309 0.470E-01 0.406E-01
DAV: 15 -0.383110621184E+03 0.21084E-02 -0.32650E-02 327 0.346E-01 0.401E-01
DAV: 16 -0.383112300363E+03 -0.16792E-02 -0.99653E-03 309 0.296E-01 0.310E-01
DAV: 17 -0.383119272637E+03 -0.69723E-02 -0.10555E-02 300 0.198E-01 0.121E-01
DAV: 18 -0.383130762267E+03 -0.11490E-01 -0.31915E-03 291 0.176E-01 0.130E-01
DAV: 19 -0.383140130359E+03 -0.93681E-02 -0.23411E-03 318 0.159E-01 0.782E-02
DAV: 20 -0.383146195627E+03 -0.60653E-02 -0.10387E-03 336 0.921E-02 0.685E-02
DAV: 21 -0.383149887055E+03 -0.36914E-02 -0.19922E-04 309 0.328E-02 0.648E-02
DAV: 22 -0.383156478977E+03 -0.65919E-02 -0.45033E-04 300 0.492E-02 0.277E-02
DAV: 23 -0.383158937751E+03 -0.24588E-02 -0.14677E-04 327 0.261E-02 0.262E-02
DAV: 24 -0.383160320762E+03 -0.13830E-02 -0.60903E-05 291 0.168E-02 0.215E-02
DAV: 25 -0.383161569063E+03 -0.12483E-02 -0.74401E-05 300 0.156E-02 0.123E-02
DAV: 26 -0.383162130948E+03 -0.56189E-03 -0.29011E-05 264 0.115E-02 0.985E-03
DAV: 27 -0.383162352901E+03 -0.22195E-03 -0.77235E-06 228 0.585E-03 0.424E-03
DAV: 28 -0.383162474256E+03 -0.12136E-03 -0.47570E-06 210 0.507E-03 0.284E-03
DAV: 29 -0.383162614801E+03 -0.14054E-03 -0.36125E-06 219 0.382E-03 0.304E-03
DAV: 30 -0.383162673589E+03 -0.58788E-04 -0.23896E-06 210 0.405E-03 0.265E-03
DAV: 31 -0.383162704012E+03 -0.30423E-04 -0.24896E-06 228 0.445E-03 0.236E-03
DAV: 32 -0.383162711911E+03 -0.78984E-05 -0.67863E-07 237 0.212E-03
1 F= -.38316271E+03 E0= -.38317951E+03 d E =0.504056E-01