./iterations/neb0_image04_iter49_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 0.371007164785E+03 0.37101E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.472151078210E+01 -0.36629E+03 -0.35361E+03 861 0.195E+02
DAV: 3 -0.950849123288E+02 -0.99806E+02 -0.99464E+02 677 0.116E+02
DAV: 4 -0.996049147786E+02 -0.45200E+01 -0.45052E+01 712 0.282E+01
DAV: 5 -0.996941376278E+02 -0.89223E-01 -0.89176E-01 728 0.356E+00 0.222E+01
DAV: 6 -0.911929552936E+02 0.85012E+01 -0.30053E+01 695 0.296E+01 0.116E+01
DAV: 7 -0.903423394268E+02 0.85062E+00 -0.17519E+00 712 0.632E+00 0.482E+00
DAV: 8 -0.899385330591E+02 0.40381E+00 -0.58205E-01 704 0.436E+00 0.165E+00
DAV: 9 -0.898449741486E+02 0.93559E-01 -0.13168E-01 720 0.176E+00 0.449E-01
DAV: 10 -0.898349031215E+02 0.10071E-01 -0.47211E-02 720 0.122E+00 0.336E-01
DAV: 11 -0.898377672457E+02 -0.28641E-02 -0.99691E-03 624 0.559E-01 0.123E-01
DAV: 12 -0.898397954630E+02 -0.20282E-02 -0.35209E-03 653 0.286E-01 0.119E-01
DAV: 13 -0.898444789036E+02 -0.46834E-02 -0.30858E-03 909 0.457E-01 0.721E-02
DAV: 14 -0.898475056889E+02 -0.30268E-02 -0.11146E-03 663 0.171E-01 0.601E-02
DAV: 15 -0.898494462127E+02 -0.19405E-02 -0.46908E-04 685 0.142E-01 0.255E-02
DAV: 16 -0.898513793447E+02 -0.19331E-02 -0.31685E-04 658 0.894E-02 0.276E-02
DAV: 17 -0.898521403710E+02 -0.76103E-03 -0.48097E-05 613 0.397E-02 0.204E-02
DAV: 18 -0.898526386095E+02 -0.49824E-03 -0.16817E-04 639 0.765E-02 0.123E-02
DAV: 19 -0.898526777651E+02 -0.39156E-04 -0.13354E-05 520 0.335E-02 0.639E-03
DAV: 20 -0.898528005287E+02 -0.12276E-03 -0.48852E-05 592 0.384E-02 0.938E-03
DAV: 21 -0.898528187213E+02 -0.18193E-04 -0.56079E-06 485 0.229E-02 0.426E-03
DAV: 22 -0.898528360068E+02 -0.17285E-04 -0.10581E-05 415 0.186E-02 0.250E-03
DAV: 23 -0.898528458189E+02 -0.98122E-05 -0.29722E-06 458 0.934E-03
1 F= -.89852846E+02 E0= -.89859690E+02 d E =0.205322E-01