iterations/neb0_image01_iter80_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 0.366819913016E+03 0.36682E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.345505933907E+01 -0.36336E+03 -0.34996E+03 839 0.195E+02
DAV: 3 -0.957988501514E+02 -0.99254E+02 -0.98914E+02 688 0.116E+02
DAV: 4 -0.100213396367E+03 -0.44145E+01 -0.44053E+01 693 0.278E+01
DAV: 5 -0.100300483444E+03 -0.87087E-01 -0.87037E-01 736 0.349E+00 0.222E+01
DAV: 6 -0.916770873263E+02 0.86234E+01 -0.31203E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908642482291E+02 0.81284E+00 -0.18182E+00 720 0.634E+00 0.484E+00
DAV: 8 -0.904832349624E+02 0.38101E+00 -0.55485E-01 712 0.425E+00 0.168E+00
DAV: 9 -0.903980875129E+02 0.85147E-01 -0.13702E-01 704 0.164E+00 0.429E-01
DAV: 10 -0.903925748790E+02 0.55126E-02 -0.46591E-02 720 0.127E+00 0.319E-01
DAV: 11 -0.903963471285E+02 -0.37722E-02 -0.68113E-03 616 0.482E-01 0.146E-01
DAV: 12 -0.903999275593E+02 -0.35804E-02 -0.72786E-03 613 0.492E-01 0.130E-01
DAV: 13 -0.904026789563E+02 -0.27514E-02 -0.14631E-03 848 0.314E-01 0.777E-02
DAV: 14 -0.904055510874E+02 -0.28721E-02 -0.14052E-03 634 0.179E-01 0.592E-02
DAV: 15 -0.904077196171E+02 -0.21685E-02 -0.42135E-04 672 0.121E-01 0.467E-02
DAV: 16 -0.904090395209E+02 -0.13199E-02 -0.75222E-04 661 0.160E-01 0.351E-02
DAV: 17 -0.904098720634E+02 -0.83254E-03 -0.17117E-04 805 0.923E-02 0.214E-02
DAV: 18 -0.904100414629E+02 -0.16940E-03 -0.44389E-05 704 0.333E-02 0.134E-02
DAV: 19 -0.904102866238E+02 -0.24516E-03 -0.56180E-05 636 0.374E-02 0.507E-03
DAV: 20 -0.904103151570E+02 -0.28533E-04 -0.49387E-06 480 0.146E-02 0.558E-03
DAV: 21 -0.904103483615E+02 -0.33205E-04 -0.56479E-06 420 0.146E-02 0.478E-03
DAV: 22 -0.904103713781E+02 -0.23017E-04 -0.42367E-06 474 0.120E-02 0.294E-03
DAV: 23 -0.904103740650E+02 -0.26870E-05 -0.42052E-06 520 0.114E-02
1 F= -.90410374E+02 E0= -.90415578E+02 d E =0.156131E-01