./iterations/neb0_image08_iter273_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 0.374106903481E+03 0.37411E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.326871240629E+01 -0.37084E+03 -0.35940E+03 877 0.196E+02
DAV: 3 -0.965391658538E+02 -0.99808E+02 -0.99495E+02 653 0.116E+02
DAV: 4 -0.101223714776E+03 -0.46845E+01 -0.46721E+01 712 0.291E+01
DAV: 5 -0.101316626914E+03 -0.92912E-01 -0.92865E-01 736 0.370E+00 0.227E+01
DAV: 6 -0.926542208237E+02 0.86624E+01 -0.30883E+01 714 0.300E+01 0.119E+01
DAV: 7 -0.917890172459E+02 0.86520E+00 -0.16959E+00 728 0.612E+00 0.480E+00
DAV: 8 -0.914147979698E+02 0.37422E+00 -0.54671E-01 720 0.398E+00 0.161E+00
DAV: 9 -0.913357431974E+02 0.79055E-01 -0.12939E-01 728 0.154E+00 0.420E-01
DAV: 10 -0.913274873128E+02 0.82559E-02 -0.45756E-02 736 0.109E+00 0.306E-01
DAV: 11 -0.913324647969E+02 -0.49775E-02 -0.14709E-02 608 0.625E-01 0.156E-01
DAV: 12 -0.913353976334E+02 -0.29328E-02 -0.30474E-03 637 0.237E-01 0.113E-01
DAV: 13 -0.913391484549E+02 -0.37508E-02 -0.26291E-03 647 0.271E-01 0.566E-02
DAV: 14 -0.913424849077E+02 -0.33365E-02 -0.97700E-04 640 0.178E-01 0.303E-02
DAV: 15 -0.913436436906E+02 -0.11588E-02 -0.17721E-04 696 0.752E-02 0.195E-02
DAV: 16 -0.913446482539E+02 -0.10046E-02 -0.16493E-04 631 0.768E-02 0.117E-02
DAV: 17 -0.913450643444E+02 -0.41609E-03 -0.35616E-05 680 0.319E-02 0.114E-02
DAV: 18 -0.913452079953E+02 -0.14365E-03 -0.16824E-05 464 0.255E-02 0.552E-03
DAV: 19 -0.913453486759E+02 -0.14068E-03 -0.24563E-05 519 0.214E-02 0.472E-03
DAV: 20 -0.913453645125E+02 -0.15837E-04 -0.15647E-06 520 0.107E-02 0.241E-03
DAV: 21 -0.913453865903E+02 -0.22078E-04 -0.76970E-06 403 0.168E-02 0.353E-03
DAV: 22 -0.913453875002E+02 -0.90988E-06 -0.11749E-06 520 0.904E-03
1 F= -.91345388E+02 E0= -.91350116E+02 d E =0.141851E-01