iterations/neb0_image09_iter198_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 0.373972771325E+03 0.37397E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.324179709516E+01 -0.37073E+03 -0.35806E+03 869 0.196E+02
DAV: 3 -0.965261256300E+02 -0.99768E+02 -0.99435E+02 645 0.117E+02
DAV: 4 -0.101242859586E+03 -0.47167E+01 -0.47058E+01 720 0.295E+01
DAV: 5 -0.101336787318E+03 -0.93928E-01 -0.93885E-01 720 0.377E+00 0.227E+01
DAV: 6 -0.926713157421E+02 0.86655E+01 -0.30968E+01 725 0.301E+01 0.119E+01
DAV: 7 -0.918077694095E+02 0.86355E+00 -0.17179E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914331364334E+02 0.37463E+00 -0.54129E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913512590921E+02 0.81877E-01 -0.13163E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913429475045E+02 0.83116E-02 -0.43927E-02 768 0.108E+00 0.299E-01
DAV: 11 -0.913474777881E+02 -0.45303E-02 -0.12372E-02 616 0.578E-01 0.140E-01
DAV: 12 -0.913505537643E+02 -0.30760E-02 -0.27871E-03 623 0.244E-01 0.103E-01
DAV: 13 -0.913540581776E+02 -0.35044E-02 -0.13226E-03 658 0.189E-01 0.447E-02
DAV: 14 -0.913577673995E+02 -0.37092E-02 -0.85823E-04 656 0.183E-01 0.372E-02
DAV: 15 -0.913586407740E+02 -0.87337E-03 -0.14532E-04 720 0.844E-02 0.334E-02
DAV: 16 -0.913599587511E+02 -0.13180E-02 -0.37445E-04 666 0.110E-01 0.201E-02
DAV: 17 -0.913604713899E+02 -0.51264E-03 -0.62953E-05 680 0.553E-02 0.136E-02
DAV: 18 -0.913607278234E+02 -0.25643E-03 -0.61131E-05 653 0.395E-02 0.108E-02
DAV: 19 -0.913608355601E+02 -0.10774E-03 -0.14284E-05 472 0.213E-02 0.477E-03
DAV: 20 -0.913608722202E+02 -0.36660E-04 -0.62065E-06 456 0.126E-02 0.304E-03
DAV: 21 -0.913608933126E+02 -0.21092E-04 -0.51153E-06 445 0.135E-02 0.192E-03
DAV: 22 -0.913609006036E+02 -0.72910E-05 -0.15419E-06 440 0.578E-03
1 F= -.91360901E+02 E0= -.91365736E+02 d E =0.145076E-01