./iterations/neb0_image08_iter289_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 0.375337940857E+03 0.37534E+03 -0.14289E+04 624 0.799E+02
DAV: 2 0.370179945664E+01 -0.37164E+03 -0.36022E+03 877 0.196E+02
DAV: 3 -0.964524414912E+02 -0.10015E+03 -0.99802E+02 648 0.117E+02
DAV: 4 -0.101258021119E+03 -0.48056E+01 -0.47944E+01 704 0.299E+01
DAV: 5 -0.101353122966E+03 -0.95102E-01 -0.95063E-01 728 0.381E+00 0.228E+01
DAV: 6 -0.926589168163E+02 0.86942E+01 -0.30849E+01 714 0.300E+01 0.120E+01
DAV: 7 -0.917841321324E+02 0.87478E+00 -0.17135E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.914099919677E+02 0.37414E+00 -0.54058E-01 728 0.398E+00 0.163E+00
DAV: 9 -0.913284162740E+02 0.81576E-01 -0.13005E-01 736 0.154E+00 0.422E-01
DAV: 10 -0.913199062902E+02 0.85100E-02 -0.45043E-02 773 0.108E+00 0.304E-01
DAV: 11 -0.913248454948E+02 -0.49392E-02 -0.14584E-02 608 0.627E-01 0.159E-01
DAV: 12 -0.913275914603E+02 -0.27460E-02 -0.29097E-03 626 0.239E-01 0.105E-01
DAV: 13 -0.913315299791E+02 -0.39385E-02 -0.25953E-03 639 0.257E-01 0.579E-02
DAV: 14 -0.913349800172E+02 -0.34500E-02 -0.10717E-03 661 0.195E-01 0.332E-02
DAV: 15 -0.913362544046E+02 -0.12744E-02 -0.20049E-04 672 0.781E-02 0.219E-02
DAV: 16 -0.913371281218E+02 -0.87372E-03 -0.14632E-04 690 0.750E-02 0.114E-02
DAV: 17 -0.913376896147E+02 -0.56149E-03 -0.63212E-05 656 0.338E-02 0.124E-02
DAV: 18 -0.913378090410E+02 -0.11943E-03 -0.85447E-06 496 0.194E-02 0.674E-03
DAV: 19 -0.913379620236E+02 -0.15298E-03 -0.39964E-05 545 0.330E-02 0.642E-03
DAV: 20 -0.913379689967E+02 -0.69732E-05 -0.32882E-06 528 0.146E-02
1 F= -.91337969E+02 E0= -.91342703E+02 d E =0.142023E-01