iterations/neb0_image08_iter115_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 0.375988740380E+03 0.37599E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.341606158930E+01 -0.37257E+03 -0.35964E+03 869 0.196E+02
DAV: 3 -0.968091870261E+02 -0.10023E+03 -0.99888E+02 674 0.117E+02
DAV: 4 -0.101213137232E+03 -0.44040E+01 -0.43932E+01 712 0.278E+01
DAV: 5 -0.101299533256E+03 -0.86396E-01 -0.86364E-01 736 0.351E+00 0.228E+01
DAV: 6 -0.926263577457E+02 0.86732E+01 -0.30827E+01 714 0.302E+01 0.119E+01
DAV: 7 -0.917503049193E+02 0.87605E+00 -0.17191E+00 720 0.615E+00 0.480E+00
DAV: 8 -0.913714138096E+02 0.37889E+00 -0.55014E-01 696 0.400E+00 0.163E+00
DAV: 9 -0.912882944127E+02 0.83119E-01 -0.13239E-01 720 0.157E+00 0.425E-01
DAV: 10 -0.912794293309E+02 0.88651E-02 -0.47515E-02 752 0.114E+00 0.309E-01
DAV: 11 -0.912841142686E+02 -0.46849E-02 -0.14475E-02 616 0.629E-01 0.154E-01
DAV: 12 -0.912869049011E+02 -0.27906E-02 -0.29984E-03 600 0.249E-01 0.120E-01
DAV: 13 -0.912906360499E+02 -0.37311E-02 -0.18631E-03 687 0.236E-01 0.464E-02
DAV: 14 -0.912939744550E+02 -0.33384E-02 -0.63112E-04 656 0.148E-01 0.338E-02
DAV: 15 -0.912955211742E+02 -0.15467E-02 -0.19635E-04 680 0.818E-02 0.396E-02
DAV: 16 -0.912967361175E+02 -0.12149E-02 -0.36529E-04 650 0.103E-01 0.186E-02
DAV: 17 -0.912971140048E+02 -0.37789E-03 -0.55652E-05 680 0.521E-02 0.153E-02
DAV: 18 -0.912973441304E+02 -0.23013E-03 -0.39654E-05 584 0.313E-02 0.119E-02
DAV: 19 -0.912974715377E+02 -0.12741E-03 -0.14065E-05 445 0.194E-02 0.530E-03
DAV: 20 -0.912975043028E+02 -0.32765E-04 -0.94527E-06 488 0.170E-02 0.236E-03
DAV: 21 -0.912975235205E+02 -0.19218E-04 -0.38348E-06 409 0.108E-02 0.241E-03
DAV: 22 -0.912975324270E+02 -0.89064E-05 -0.14939E-06 453 0.497E-03
1 F= -.91297532E+02 E0= -.91302450E+02 d E =0.147515E-01