iterations/neb0_image01_iter36_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 0.366581204369E+03 0.36658E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.309792804292E+01 -0.36348E+03 -0.35015E+03 847 0.195E+02
DAV: 3 -0.956035597954E+02 -0.98701E+02 -0.98353E+02 672 0.116E+02
DAV: 4 -0.100184775361E+03 -0.45812E+01 -0.45712E+01 685 0.285E+01
DAV: 5 -0.100277328324E+03 -0.92553E-01 -0.92497E-01 736 0.359E+00 0.222E+01
DAV: 6 -0.916544707678E+02 0.86229E+01 -0.31059E+01 712 0.298E+01 0.117E+01
DAV: 7 -0.908372148010E+02 0.81726E+00 -0.18370E+00 720 0.636E+00 0.483E+00
DAV: 8 -0.904556421700E+02 0.38157E+00 -0.56261E-01 704 0.430E+00 0.168E+00
DAV: 9 -0.903693761227E+02 0.86266E-01 -0.13738E-01 704 0.165E+00 0.429E-01
DAV: 10 -0.903635324950E+02 0.58436E-02 -0.44178E-02 736 0.124E+00 0.312E-01
DAV: 11 -0.903673519254E+02 -0.38194E-02 -0.65298E-03 605 0.465E-01 0.145E-01
DAV: 12 -0.903707856458E+02 -0.34337E-02 -0.65491E-03 618 0.473E-01 0.123E-01
DAV: 13 -0.903735292894E+02 -0.27436E-02 -0.11587E-03 800 0.288E-01 0.765E-02
DAV: 14 -0.903765282707E+02 -0.29990E-02 -0.16192E-03 637 0.194E-01 0.583E-02
DAV: 15 -0.903786311991E+02 -0.21029E-02 -0.34983E-04 744 0.127E-01 0.395E-02
DAV: 16 -0.903799370612E+02 -0.13059E-02 -0.58941E-04 661 0.138E-01 0.342E-02
DAV: 17 -0.903808223221E+02 -0.88526E-03 -0.17650E-04 839 0.931E-02 0.190E-02
DAV: 18 -0.903809991763E+02 -0.17685E-03 -0.36765E-05 704 0.315E-02 0.127E-02
DAV: 19 -0.903812503001E+02 -0.25112E-03 -0.62134E-05 627 0.426E-02 0.709E-03
DAV: 20 -0.903812684770E+02 -0.18177E-04 -0.46743E-06 496 0.137E-02 0.662E-03
DAV: 21 -0.903813097288E+02 -0.41252E-04 -0.71329E-06 403 0.174E-02 0.209E-03
DAV: 22 -0.903813295283E+02 -0.19799E-04 -0.50378E-06 477 0.110E-02 0.246E-03
DAV: 23 -0.903813336263E+02 -0.40980E-05 -0.98446E-07 472 0.489E-03
1 F= -.90381334E+02 E0= -.90386398E+02 d E =0.151924E-01