iterations/neb0_image04_iter247_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 0.367138337227E+03 0.36714E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.108872707348E+01 -0.36605E+03 -0.35489E+03 863 0.195E+02
DAV: 3 -0.961311252557E+02 -0.97220E+02 -0.96933E+02 672 0.116E+02
DAV: 4 -0.100300609780E+03 -0.41695E+01 -0.41606E+01 696 0.273E+01
DAV: 5 -0.100382246650E+03 -0.81637E-01 -0.81606E-01 736 0.341E+00 0.223E+01
DAV: 6 -0.916781264338E+02 0.87041E+01 -0.31243E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908229642967E+02 0.85516E+00 -0.18077E+00 712 0.655E+00 0.485E+00
DAV: 8 -0.904179673035E+02 0.40500E+00 -0.54379E-01 712 0.457E+00 0.181E+00
DAV: 9 -0.903272459502E+02 0.90721E-01 -0.14430E-01 736 0.230E+00 0.633E-01
DAV: 10 -0.903085183341E+02 0.18728E-01 -0.44085E-02 712 0.109E+00 0.367E-01
DAV: 11 -0.903103989067E+02 -0.18806E-02 -0.17296E-02 712 0.684E-01 0.286E-01
DAV: 12 -0.903127917417E+02 -0.23928E-02 -0.39130E-03 685 0.564E-01 0.155E-01
DAV: 13 -0.903161056731E+02 -0.33139E-02 -0.33876E-03 655 0.401E-01 0.115E-01
DAV: 14 -0.903194729802E+02 -0.33673E-02 -0.16269E-03 671 0.253E-01 0.538E-02
DAV: 15 -0.903224355325E+02 -0.29626E-02 -0.87554E-04 648 0.148E-01 0.505E-02
DAV: 16 -0.903245840465E+02 -0.21485E-02 -0.48653E-04 776 0.180E-01 0.413E-02
DAV: 17 -0.903258740953E+02 -0.12900E-02 -0.29597E-04 652 0.839E-02 0.381E-02
DAV: 18 -0.903262878299E+02 -0.41373E-03 -0.96102E-05 808 0.775E-02 0.144E-02
DAV: 19 -0.903266022647E+02 -0.31443E-03 -0.12136E-04 649 0.637E-02 0.155E-02
DAV: 20 -0.903267226912E+02 -0.12043E-03 -0.92348E-06 480 0.208E-02 0.134E-02
DAV: 21 -0.903268139641E+02 -0.91273E-04 -0.40875E-05 612 0.379E-02 0.673E-03
DAV: 22 -0.903268350929E+02 -0.21129E-04 -0.49591E-06 496 0.166E-02 0.278E-03
DAV: 23 -0.903268440472E+02 -0.89543E-05 -0.34683E-06 442 0.956E-03
1 F= -.90326844E+02 E0= -.90334890E+02 d E =0.241365E-01