iterations/neb0_image07_iter136_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 0.376129875727E+03 0.37613E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.380616411422E+01 -0.37232E+03 -0.35990E+03 874 0.196E+02
DAV: 3 -0.965661555267E+02 -0.10037E+03 -0.10003E+03 680 0.117E+02
DAV: 4 -0.101091569695E+03 -0.45254E+01 -0.45124E+01 720 0.283E+01
DAV: 5 -0.101181222902E+03 -0.89653E-01 -0.89616E-01 728 0.358E+00 0.227E+01
DAV: 6 -0.925612444675E+02 0.86200E+01 -0.30674E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.916941504791E+02 0.86709E+00 -0.16865E+00 720 0.614E+00 0.480E+00
DAV: 8 -0.913172115326E+02 0.37694E+00 -0.55084E-01 712 0.400E+00 0.163E+00
DAV: 9 -0.912348088663E+02 0.82403E-01 -0.12859E-01 712 0.153E+00 0.426E-01
DAV: 10 -0.912256423147E+02 0.91666E-02 -0.44228E-02 752 0.108E+00 0.299E-01
DAV: 11 -0.912306566358E+02 -0.50143E-02 -0.13640E-02 605 0.609E-01 0.161E-01
DAV: 12 -0.912332761335E+02 -0.26195E-02 -0.26771E-03 650 0.233E-01 0.125E-01
DAV: 13 -0.912371180535E+02 -0.38419E-02 -0.22947E-03 640 0.269E-01 0.480E-02
DAV: 14 -0.912397491353E+02 -0.26311E-02 -0.42384E-04 672 0.112E-01 0.360E-02
DAV: 15 -0.912421333510E+02 -0.23842E-02 -0.22140E-04 637 0.649E-02 0.313E-02
DAV: 16 -0.912431588652E+02 -0.10255E-02 -0.24895E-04 688 0.749E-02 0.182E-02
DAV: 17 -0.912436290056E+02 -0.47014E-03 -0.44492E-05 592 0.360E-02 0.123E-02
DAV: 18 -0.912438268446E+02 -0.19784E-03 -0.28926E-05 568 0.240E-02 0.645E-03
DAV: 19 -0.912438747111E+02 -0.47866E-04 -0.99256E-06 480 0.220E-02 0.327E-03
DAV: 20 -0.912439003266E+02 -0.25616E-04 -0.56272E-06 439 0.139E-02 0.418E-03
DAV: 21 -0.912439196293E+02 -0.19303E-04 -0.23494E-06 437 0.823E-03 0.321E-03
DAV: 22 -0.912439248279E+02 -0.51986E-05 -0.25765E-06 464 0.110E-02
1 F= -.91243925E+02 E0= -.91249126E+02 d E =0.156026E-01