iterations/neb0_image03_iter194_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 0.364088059471E+03 0.36409E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.407733878396E-01 -0.36405E+03 -0.35394E+03 858 0.195E+02
DAV: 3 -0.960929734523E+02 -0.96134E+02 -0.95826E+02 666 0.115E+02
DAV: 4 -0.100275279090E+03 -0.41823E+01 -0.41709E+01 712 0.273E+01
DAV: 5 -0.100357643967E+03 -0.82365E-01 -0.82327E-01 736 0.345E+00 0.222E+01
DAV: 6 -0.917276103291E+02 0.86300E+01 -0.31007E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.908843518875E+02 0.84326E+00 -0.18230E+00 704 0.637E+00 0.484E+00
DAV: 8 -0.904869054014E+02 0.39745E+00 -0.56429E-01 696 0.431E+00 0.169E+00
DAV: 9 -0.903901386961E+02 0.96767E-01 -0.13044E-01 720 0.180E+00 0.444E-01
DAV: 10 -0.903819249947E+02 0.82137E-02 -0.54664E-02 712 0.131E+00 0.355E-01
DAV: 11 -0.903860884754E+02 -0.41635E-02 -0.13019E-02 624 0.741E-01 0.134E-01
DAV: 12 -0.903882769535E+02 -0.21885E-02 -0.58650E-03 629 0.369E-01 0.134E-01
DAV: 13 -0.903916933062E+02 -0.34164E-02 -0.31164E-03 826 0.442E-01 0.806E-02
DAV: 14 -0.903955513511E+02 -0.38580E-02 -0.16571E-03 669 0.251E-01 0.715E-02
DAV: 15 -0.903972823918E+02 -0.17310E-02 -0.26105E-04 680 0.906E-02 0.435E-02
DAV: 16 -0.903992835836E+02 -0.20012E-02 -0.75464E-04 653 0.157E-01 0.314E-02
DAV: 17 -0.903998673611E+02 -0.58378E-03 -0.68535E-05 688 0.629E-02 0.261E-02
DAV: 18 -0.904005120396E+02 -0.64468E-03 -0.31444E-04 695 0.117E-01 0.183E-02
DAV: 19 -0.904006605660E+02 -0.14853E-03 -0.48505E-05 704 0.515E-02 0.867E-03
DAV: 20 -0.904007723819E+02 -0.11182E-03 -0.25993E-05 514 0.241E-02 0.317E-03
DAV: 21 -0.904008231798E+02 -0.50798E-04 -0.67823E-06 458 0.128E-02 0.229E-03
DAV: 22 -0.904008593728E+02 -0.36193E-04 -0.59936E-06 437 0.118E-02 0.187E-03
DAV: 23 -0.904008655576E+02 -0.61848E-05 -0.22763E-06 520 0.914E-03
1 F= -.90400866E+02 E0= -.90406275E+02 d E =0.162290E-01