./iterations/neb0_image09_iter287_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 0.374317358540E+03 0.37432E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.334689583347E+01 -0.37097E+03 -0.35832E+03 866 0.196E+02
DAV: 3 -0.967673296498E+02 -0.10011E+03 -0.99791E+02 664 0.117E+02
DAV: 4 -0.101298081235E+03 -0.45308E+01 -0.45200E+01 712 0.287E+01
DAV: 5 -0.101387219744E+03 -0.89139E-01 -0.89099E-01 728 0.365E+00 0.228E+01
DAV: 6 -0.926869601218E+02 0.87003E+01 -0.31003E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918121818971E+02 0.87478E+00 -0.17173E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914358913573E+02 0.37629E+00 -0.54391E-01 704 0.396E+00 0.162E+00
DAV: 9 -0.913550201593E+02 0.80871E-01 -0.13165E-01 720 0.154E+00 0.422E-01
DAV: 10 -0.913468441131E+02 0.81760E-02 -0.45480E-02 752 0.109E+00 0.305E-01
DAV: 11 -0.913515321508E+02 -0.46880E-02 -0.13684E-02 608 0.608E-01 0.145E-01
DAV: 12 -0.913544837808E+02 -0.29516E-02 -0.28640E-03 629 0.226E-01 0.115E-01
DAV: 13 -0.913583122324E+02 -0.38285E-02 -0.24773E-03 701 0.262E-01 0.513E-02
DAV: 14 -0.913616232580E+02 -0.33110E-02 -0.60919E-04 672 0.129E-01 0.247E-02
DAV: 15 -0.913631052004E+02 -0.14819E-02 -0.12772E-04 688 0.575E-02 0.194E-02
DAV: 16 -0.913642356558E+02 -0.11305E-02 -0.18715E-04 645 0.625E-02 0.147E-02
DAV: 17 -0.913643941258E+02 -0.15847E-03 -0.13240E-05 496 0.298E-02 0.108E-02
DAV: 18 -0.913646509093E+02 -0.25678E-03 -0.74661E-05 612 0.433E-02 0.107E-02
DAV: 19 -0.913646664329E+02 -0.15524E-04 -0.75082E-06 520 0.251E-02 0.508E-03
DAV: 20 -0.913646925418E+02 -0.26109E-04 -0.13365E-05 415 0.208E-02 0.278E-03
DAV: 21 -0.913647142556E+02 -0.21714E-04 -0.48392E-06 440 0.105E-02 0.421E-03
DAV: 22 -0.913647166681E+02 -0.24125E-05 -0.67112E-07 501 0.775E-03
1 F= -.91364717E+02 E0= -.91369427E+02 d E =0.141311E-01