iterations/neb0_image05_iter122_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 0.372176033862E+03 0.37218E+03 -0.14300E+04 632 0.799E+02
DAV: 2 0.480783999585E+01 -0.36737E+03 -0.35492E+03 866 0.194E+02
DAV: 3 -0.940467433133E+02 -0.98855E+02 -0.98473E+02 629 0.116E+02
DAV: 4 -0.988623834380E+02 -0.48156E+01 -0.48024E+01 720 0.304E+01
DAV: 5 -0.989649614848E+02 -0.10258E+00 -0.10252E+00 728 0.394E+00 0.219E+01
DAV: 6 -0.905985245443E+02 0.83664E+01 -0.28860E+01 672 0.288E+01 0.112E+01
DAV: 7 -0.897278962897E+02 0.87063E+00 -0.17886E+00 736 0.664E+00 0.469E+00
DAV: 8 -0.893366403615E+02 0.39126E+00 -0.61314E-01 704 0.446E+00 0.157E+00
DAV: 9 -0.892531186323E+02 0.83522E-01 -0.13041E-01 728 0.164E+00 0.444E-01
DAV: 10 -0.892418025754E+02 0.11316E-01 -0.47531E-02 725 0.120E+00 0.329E-01
DAV: 11 -0.892438442387E+02 -0.20417E-02 -0.91639E-03 656 0.548E-01 0.119E-01
DAV: 12 -0.892462886041E+02 -0.24444E-02 -0.36373E-03 668 0.315E-01 0.117E-01
DAV: 13 -0.892513852422E+02 -0.50966E-02 -0.13423E-03 765 0.275E-01 0.643E-02
DAV: 14 -0.892541598407E+02 -0.27746E-02 -0.98361E-04 664 0.144E-01 0.453E-02
DAV: 15 -0.892567319909E+02 -0.25722E-02 -0.39607E-04 682 0.120E-01 0.260E-02
DAV: 16 -0.892582541284E+02 -0.15221E-02 -0.20033E-04 674 0.654E-02 0.244E-02
DAV: 17 -0.892591403538E+02 -0.88623E-03 -0.13607E-04 719 0.712E-02 0.943E-03
DAV: 18 -0.892594457778E+02 -0.30542E-03 -0.33330E-05 688 0.300E-02 0.764E-03
DAV: 19 -0.892595922561E+02 -0.14648E-03 -0.14826E-05 463 0.210E-02 0.389E-03
DAV: 20 -0.892596672492E+02 -0.74993E-04 -0.16484E-05 517 0.220E-02 0.534E-03
DAV: 21 -0.892596956499E+02 -0.28401E-04 -0.46697E-06 464 0.123E-02 0.304E-03
DAV: 22 -0.892596980667E+02 -0.24168E-05 -0.25042E-06 544 0.846E-03
1 F= -.89259698E+02 E0= -.89264679E+02 d E =0.149440E-01