iterations/neb0_image07_iter264_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 0.371561898219E+03 0.37156E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.369586601288E+01 -0.36787E+03 -0.35634E+03 869 0.194E+02
DAV: 3 -0.966238036027E+02 -0.10032E+03 -0.10000E+03 688 0.116E+02
DAV: 4 -0.101188133202E+03 -0.45643E+01 -0.45531E+01 712 0.285E+01
DAV: 5 -0.101277319633E+03 -0.89186E-01 -0.89144E-01 728 0.360E+00 0.227E+01
DAV: 6 -0.926229478774E+02 0.86544E+01 -0.30981E+01 701 0.300E+01 0.119E+01
DAV: 7 -0.917666511155E+02 0.85630E+00 -0.17170E+00 736 0.615E+00 0.480E+00
DAV: 8 -0.913905300033E+02 0.37612E+00 -0.54159E-01 736 0.397E+00 0.162E+00
DAV: 9 -0.913076877484E+02 0.82842E-01 -0.12858E-01 720 0.153E+00 0.421E-01
DAV: 10 -0.912984921629E+02 0.91956E-02 -0.43699E-02 741 0.106E+00 0.298E-01
DAV: 11 -0.913033222225E+02 -0.48301E-02 -0.13889E-02 608 0.604E-01 0.159E-01
DAV: 12 -0.913061778945E+02 -0.28557E-02 -0.27443E-03 620 0.247E-01 0.100E-01
DAV: 13 -0.913099553676E+02 -0.37775E-02 -0.19935E-03 644 0.223E-01 0.504E-02
DAV: 14 -0.913134815371E+02 -0.35262E-02 -0.10387E-03 698 0.216E-01 0.432E-02
DAV: 15 -0.913148403545E+02 -0.13588E-02 -0.32692E-04 680 0.102E-01 0.315E-02
DAV: 16 -0.913154884080E+02 -0.64805E-03 -0.16082E-04 725 0.816E-02 0.108E-02
DAV: 17 -0.913163960685E+02 -0.90766E-03 -0.11149E-04 676 0.501E-02 0.148E-02
DAV: 18 -0.913165801708E+02 -0.18410E-03 -0.10497E-05 496 0.194E-02 0.106E-02
DAV: 19 -0.913167511277E+02 -0.17096E-03 -0.50953E-05 609 0.401E-02 0.607E-03
DAV: 20 -0.913167603706E+02 -0.92429E-05 -0.39266E-06 536 0.140E-02
1 F= -.91316760E+02 E0= -.91321322E+02 d E =0.136840E-01