iterations/neb0_image07_iter148_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 0.371292950190E+03 0.37129E+03 -0.14317E+04 632 0.799E+02
DAV: 2 0.347301840358E+01 -0.36782E+03 -0.35539E+03 869 0.194E+02
DAV: 3 -0.962183807462E+02 -0.99691E+02 -0.99365E+02 672 0.116E+02
DAV: 4 -0.100972584793E+03 -0.47542E+01 -0.47411E+01 712 0.288E+01
DAV: 5 -0.101071575734E+03 -0.98991E-01 -0.98922E-01 728 0.370E+00 0.226E+01
DAV: 6 -0.924831979083E+02 0.85884E+01 -0.30470E+01 704 0.299E+01 0.118E+01
DAV: 7 -0.916271080898E+02 0.85609E+00 -0.17041E+00 720 0.617E+00 0.479E+00
DAV: 8 -0.912538022708E+02 0.37331E+00 -0.53822E-01 728 0.399E+00 0.164E+00
DAV: 9 -0.911719368033E+02 0.81865E-01 -0.12823E-01 720 0.157E+00 0.426E-01
DAV: 10 -0.911628515438E+02 0.90853E-02 -0.37508E-02 773 0.101E+00 0.282E-01
DAV: 11 -0.911670750881E+02 -0.42235E-02 -0.10227E-02 608 0.538E-01 0.140E-01
DAV: 12 -0.911696485488E+02 -0.25735E-02 -0.22916E-03 633 0.275E-01 0.832E-02
DAV: 13 -0.911734678792E+02 -0.38193E-02 -0.15847E-03 639 0.189E-01 0.602E-02
DAV: 14 -0.911762223531E+02 -0.27545E-02 -0.66868E-04 776 0.218E-01 0.436E-02
DAV: 15 -0.911781541830E+02 -0.19318E-02 -0.48393E-04 655 0.119E-01 0.350E-02
DAV: 16 -0.911793699836E+02 -0.12158E-02 -0.15603E-04 688 0.661E-02 0.187E-02
DAV: 17 -0.911803715833E+02 -0.10016E-02 -0.17929E-04 682 0.678E-02 0.173E-02
DAV: 18 -0.911805965786E+02 -0.22500E-03 -0.29755E-05 624 0.389E-02 0.778E-03
DAV: 19 -0.911807236576E+02 -0.12708E-03 -0.41671E-05 565 0.352E-02 0.807E-03
DAV: 20 -0.911807457726E+02 -0.22115E-04 -0.43388E-06 496 0.201E-02 0.391E-03
DAV: 21 -0.911807781084E+02 -0.32336E-04 -0.11854E-05 420 0.207E-02 0.319E-03
DAV: 22 -0.911807875597E+02 -0.94513E-05 -0.17342E-06 472 0.975E-03
1 F= -.91180788E+02 E0= -.91186079E+02 d E =0.158737E-01