iterations/neb0_image01_iter66_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 0.144724714016E+04 0.14472E+04 -0.44190E+04 330 0.697E+02
DAV: 2 0.223984334851E+03 -0.12233E+04 -0.11462E+04 435 0.163E+02
DAV: 3 -0.363152171920E+03 -0.58714E+03 -0.58377E+03 345 0.114E+02
DAV: 4 -0.433506569112E+03 -0.70354E+02 -0.70083E+02 318 0.508E+01
DAV: 5 -0.435080037821E+03 -0.15735E+01 -0.15710E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389098216425E+03 0.45982E+02 -0.14826E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385628134566E+03 0.34701E+01 -0.13399E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384155665473E+03 0.14725E+01 -0.22120E+00 336 0.385E+00 0.433E+00
DAV: 9 -0.383610360989E+03 0.54530E+00 -0.16140E+00 336 0.239E+00 0.129E+00
DAV: 10 -0.383531301827E+03 0.79059E-01 -0.15408E-01 318 0.108E+00 0.935E-01
DAV: 11 -0.383503309985E+03 0.27992E-01 -0.10812E-01 336 0.814E-01 0.910E-01
DAV: 12 -0.383486533094E+03 0.16777E-01 -0.22651E-01 336 0.606E-01 0.578E-01
DAV: 13 -0.383477861604E+03 0.86715E-02 -0.69200E-02 327 0.423E-01 0.842E-01
DAV: 14 -0.383463516312E+03 0.14345E-01 -0.15264E-01 345 0.399E-01 0.366E-01
DAV: 15 -0.383463603030E+03 -0.86718E-04 -0.27749E-02 309 0.380E-01 0.498E-01
DAV: 16 -0.383466065257E+03 -0.24622E-02 -0.76206E-03 345 0.268E-01 0.152E-01
DAV: 17 -0.383474033442E+03 -0.79682E-02 -0.37837E-03 309 0.188E-01 0.209E-01
DAV: 18 -0.383487915430E+03 -0.13882E-01 -0.10222E-02 381 0.237E-01 0.400E-01
DAV: 19 -0.383486074306E+03 0.18411E-02 -0.20714E-03 327 0.120E-01 0.193E-01
DAV: 20 -0.383491503405E+03 -0.54291E-02 -0.11941E-03 291 0.832E-02 0.111E-01
DAV: 21 -0.383497523351E+03 -0.60199E-02 -0.54819E-04 336 0.576E-02 0.101E-01
DAV: 22 -0.383503756601E+03 -0.62332E-02 -0.10454E-03 318 0.591E-02 0.579E-02
DAV: 23 -0.383506705508E+03 -0.29489E-02 -0.25489E-04 318 0.329E-02 0.346E-02
DAV: 24 -0.383509699323E+03 -0.29938E-02 -0.14460E-04 309 0.246E-02 0.446E-02
DAV: 25 -0.383511750451E+03 -0.20511E-02 -0.10838E-04 345 0.249E-02 0.103E-02
DAV: 26 -0.383512911886E+03 -0.11614E-02 -0.54952E-05 309 0.152E-02 0.137E-02
DAV: 27 -0.383513687202E+03 -0.77532E-03 -0.33605E-05 291 0.100E-02 0.908E-03
DAV: 28 -0.383513963534E+03 -0.27633E-03 -0.14302E-05 264 0.853E-03 0.422E-03
DAV: 29 -0.383514149052E+03 -0.18552E-03 -0.57306E-06 210 0.506E-03 0.323E-03
DAV: 30 -0.383514239543E+03 -0.90491E-04 -0.30875E-06 228 0.337E-03 0.180E-03
DAV: 31 -0.383514293243E+03 -0.53700E-04 -0.19595E-06 210 0.261E-03 0.113E-03
DAV: 32 -0.383514319726E+03 -0.26483E-04 -0.11110E-06 228 0.205E-03 0.171E-03
DAV: 33 -0.383514335613E+03 -0.15887E-04 -0.80129E-07 192 0.156E-03 0.124E-03
DAV: 34 -0.383514338557E+03 -0.29439E-05 -0.32168E-07 237 0.110E-03
1 F= -.38351434E+03 E0= -.38353090E+03 d E =0.496981E-01