iterations/neb0_image07_iter113_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 0.377711760143E+03 0.37771E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.420927844421E+01 -0.37350E+03 -0.36005E+03 869 0.196E+02
DAV: 3 -0.963938922265E+02 -0.10060E+03 -0.10027E+03 664 0.117E+02
DAV: 4 -0.101039252263E+03 -0.46454E+01 -0.46334E+01 704 0.288E+01
DAV: 5 -0.101131743814E+03 -0.92492E-01 -0.92452E-01 728 0.365E+00 0.228E+01
DAV: 6 -0.924645557195E+02 0.86672E+01 -0.30722E+01 693 0.303E+01 0.119E+01
DAV: 7 -0.915872014628E+02 0.87735E+00 -0.16780E+00 736 0.613E+00 0.481E+00
DAV: 8 -0.912057939018E+02 0.38141E+00 -0.55192E-01 712 0.400E+00 0.163E+00
DAV: 9 -0.911221549710E+02 0.83639E-01 -0.13269E-01 720 0.155E+00 0.425E-01
DAV: 10 -0.911129663121E+02 0.91887E-02 -0.47972E-02 741 0.113E+00 0.311E-01
DAV: 11 -0.911175195902E+02 -0.45533E-02 -0.13068E-02 616 0.601E-01 0.139E-01
DAV: 12 -0.911206546614E+02 -0.31351E-02 -0.34835E-03 633 0.268E-01 0.146E-01
DAV: 13 -0.911245354890E+02 -0.38808E-02 -0.28882E-03 725 0.326E-01 0.573E-02
DAV: 14 -0.911270560707E+02 -0.25206E-02 -0.55776E-04 656 0.111E-01 0.587E-02
DAV: 15 -0.911296243698E+02 -0.25683E-02 -0.32786E-04 637 0.902E-02 0.328E-02
DAV: 16 -0.911305996355E+02 -0.97527E-03 -0.40937E-04 680 0.100E-01 0.323E-02
DAV: 17 -0.911310410600E+02 -0.44142E-03 -0.13022E-04 640 0.724E-02 0.101E-02
DAV: 18 -0.911312097113E+02 -0.16865E-03 -0.25219E-05 608 0.269E-02 0.746E-03
DAV: 19 -0.911312749483E+02 -0.65237E-04 -0.10299E-05 448 0.196E-02 0.217E-03
DAV: 20 -0.911313245341E+02 -0.49586E-04 -0.55912E-06 423 0.968E-03 0.192E-03
DAV: 21 -0.911313357592E+02 -0.11225E-04 -0.12473E-06 512 0.465E-03 0.146E-03
DAV: 22 -0.911313421826E+02 -0.64234E-05 -0.18321E-06 386 0.817E-03
1 F= -.91131342E+02 E0= -.91136535E+02 d E =0.155793E-01