./iterations/neb0_image07_iter86_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 0.376821820088E+03 0.37682E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.348279588772E+01 -0.37334E+03 -0.36125E+03 877 0.196E+02
DAV: 3 -0.964548788808E+02 -0.99938E+02 -0.99610E+02 672 0.117E+02
DAV: 4 -0.100888442170E+03 -0.44336E+01 -0.44230E+01 696 0.283E+01
DAV: 5 -0.100976595037E+03 -0.88153E-01 -0.88114E-01 728 0.358E+00 0.227E+01
DAV: 6 -0.923646230558E+02 0.86120E+01 -0.30721E+01 709 0.302E+01 0.119E+01
DAV: 7 -0.914961326520E+02 0.86849E+00 -0.16691E+00 720 0.616E+00 0.482E+00
DAV: 8 -0.911132160105E+02 0.38292E+00 -0.57178E-01 704 0.408E+00 0.163E+00
DAV: 9 -0.910289819236E+02 0.84234E-01 -0.13164E-01 720 0.155E+00 0.429E-01
DAV: 10 -0.910192972371E+02 0.96847E-02 -0.46862E-02 709 0.110E+00 0.306E-01
DAV: 11 -0.910239313588E+02 -0.46341E-02 -0.11884E-02 608 0.566E-01 0.140E-01
DAV: 12 -0.910271583080E+02 -0.32269E-02 -0.36161E-03 627 0.280E-01 0.146E-01
DAV: 13 -0.910307991627E+02 -0.36409E-02 -0.25328E-03 741 0.314E-01 0.534E-02
DAV: 14 -0.910334043696E+02 -0.26052E-02 -0.63792E-04 645 0.118E-01 0.576E-02
DAV: 15 -0.910358708235E+02 -0.24665E-02 -0.26396E-04 653 0.804E-02 0.348E-02
DAV: 16 -0.910370613771E+02 -0.11906E-02 -0.38642E-04 677 0.968E-02 0.268E-02
DAV: 17 -0.910376122016E+02 -0.55082E-03 -0.11112E-04 640 0.674E-02 0.103E-02
DAV: 18 -0.910377636487E+02 -0.15145E-03 -0.23850E-05 560 0.252E-02 0.742E-03
DAV: 19 -0.910378429143E+02 -0.79266E-04 -0.13866E-05 437 0.236E-02 0.240E-03
DAV: 20 -0.910378833708E+02 -0.40456E-04 -0.78208E-06 477 0.142E-02 0.410E-03
DAV: 21 -0.910378931795E+02 -0.98087E-05 -0.12024E-06 464 0.682E-03
1 F= -.91037893E+02 E0= -.91043003E+02 d E =0.153284E-01