./iterations/neb0_image05_iter63_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 0.373266658770E+03 0.37327E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.451187722220E+01 -0.36875E+03 -0.35655E+03 863 0.195E+02
DAV: 3 -0.937319046431E+02 -0.98244E+02 -0.97886E+02 640 0.116E+02
DAV: 4 -0.985010070724E+02 -0.47691E+01 -0.47553E+01 720 0.300E+01
DAV: 5 -0.986037618162E+02 -0.10275E+00 -0.10271E+00 728 0.392E+00 0.219E+01
DAV: 6 -0.903735591155E+02 0.82302E+01 -0.28723E+01 688 0.289E+01 0.112E+01
DAV: 7 -0.895288603816E+02 0.84470E+00 -0.17650E+00 728 0.655E+00 0.467E+00
DAV: 8 -0.891493319968E+02 0.37953E+00 -0.60330E-01 696 0.433E+00 0.154E+00
DAV: 9 -0.890650344772E+02 0.84298E-01 -0.12248E-01 720 0.157E+00 0.430E-01
DAV: 10 -0.890540510813E+02 0.10983E-01 -0.45471E-02 725 0.113E+00 0.325E-01
DAV: 11 -0.890564076171E+02 -0.23565E-02 -0.99868E-03 640 0.553E-01 0.121E-01
DAV: 12 -0.890586398254E+02 -0.22322E-02 -0.26605E-03 666 0.270E-01 0.106E-01
DAV: 13 -0.890639513822E+02 -0.53116E-02 -0.17340E-03 780 0.275E-01 0.663E-02
DAV: 14 -0.890666115925E+02 -0.26602E-02 -0.66335E-04 682 0.126E-01 0.374E-02
DAV: 15 -0.890694837133E+02 -0.28721E-02 -0.53326E-04 744 0.121E-01 0.290E-02
DAV: 16 -0.890705529274E+02 -0.10692E-02 -0.99271E-05 776 0.675E-02 0.125E-02
DAV: 17 -0.890716417587E+02 -0.10888E-02 -0.17487E-04 647 0.629E-02 0.157E-02
DAV: 18 -0.890718463468E+02 -0.20459E-03 -0.30329E-05 576 0.430E-02 0.836E-03
DAV: 19 -0.890719478640E+02 -0.10152E-03 -0.26801E-05 616 0.312E-02 0.602E-03
DAV: 20 -0.890720468300E+02 -0.98966E-04 -0.12653E-05 455 0.172E-02 0.522E-03
DAV: 21 -0.890720784762E+02 -0.31646E-04 -0.42391E-06 472 0.103E-02 0.365E-03
DAV: 22 -0.890720882988E+02 -0.98227E-05 -0.50565E-06 472 0.151E-02
1 F= -.89072088E+02 E0= -.89075960E+02 d E =0.116149E-01