iterations/neb0_image08_iter24_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.374172982585E+03 0.37417E+03 -0.14275E+04 624 0.799E+02
DAV: 2 0.353913516948E+01 -0.37063E+03 -0.35750E+03 869 0.196E+02
DAV: 3 -0.964304011152E+02 -0.99970E+02 -0.99625E+02 672 0.117E+02
DAV: 4 -0.100933800903E+03 -0.45034E+01 -0.44919E+01 704 0.283E+01
DAV: 5 -0.101023040304E+03 -0.89239E-01 -0.89194E-01 736 0.361E+00 0.226E+01
DAV: 6 -0.923543715361E+02 0.86687E+01 -0.30697E+01 696 0.302E+01 0.119E+01
DAV: 7 -0.914837962155E+02 0.87058E+00 -0.17147E+00 720 0.625E+00 0.480E+00
DAV: 8 -0.911042363374E+02 0.37956E+00 -0.56476E-01 712 0.405E+00 0.165E+00
DAV: 9 -0.910182859273E+02 0.85950E-01 -0.13229E-01 712 0.157E+00 0.434E-01
DAV: 10 -0.910080019359E+02 0.10284E-01 -0.39969E-02 720 0.102E+00 0.290E-01
DAV: 11 -0.910125234657E+02 -0.45215E-02 -0.11131E-02 608 0.539E-01 0.150E-01
DAV: 12 -0.910153098275E+02 -0.27864E-02 -0.25378E-03 628 0.264E-01 0.866E-02
DAV: 13 -0.910191474505E+02 -0.38376E-02 -0.11784E-03 644 0.154E-01 0.568E-02
DAV: 14 -0.910227144819E+02 -0.35670E-02 -0.87168E-04 720 0.210E-01 0.397E-02
DAV: 15 -0.910241413883E+02 -0.14269E-02 -0.28323E-04 730 0.110E-01 0.347E-02
DAV: 16 -0.910254318741E+02 -0.12905E-02 -0.22192E-04 677 0.781E-02 0.173E-02
DAV: 17 -0.910261929799E+02 -0.76111E-03 -0.95447E-05 664 0.493E-02 0.118E-02
DAV: 18 -0.910265081719E+02 -0.31519E-03 -0.31845E-05 581 0.260E-02 0.759E-03
DAV: 19 -0.910266344528E+02 -0.12628E-03 -0.16024E-05 480 0.190E-02 0.284E-03
DAV: 20 -0.910266614295E+02 -0.26977E-04 -0.34289E-06 474 0.102E-02 0.124E-03
DAV: 21 -0.910266876379E+02 -0.26208E-04 -0.45457E-06 398 0.815E-03 0.165E-03
DAV: 22 -0.910266889626E+02 -0.13247E-05 -0.60013E-07 504 0.430E-03
1 F= -.91026689E+02 E0= -.91031879E+02 d E =0.155711E-01