./iterations/neb0_image05_iter299_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 0.368551145618E+03 0.36855E+03 -0.14314E+04 624 0.799E+02
DAV: 2 0.415571391378E+01 -0.36440E+03 -0.35102E+03 845 0.196E+02
DAV: 3 -0.953626130706E+02 -0.99518E+02 -0.99176E+02 648 0.117E+02
DAV: 4 -0.100141295974E+03 -0.47787E+01 -0.47667E+01 704 0.297E+01
DAV: 5 -0.100236338229E+03 -0.95042E-01 -0.95000E-01 736 0.376E+00 0.223E+01
DAV: 6 -0.915590180172E+02 0.86773E+01 -0.31226E+01 680 0.301E+01 0.117E+01
DAV: 7 -0.907396038071E+02 0.81941E+00 -0.18002E+00 712 0.645E+00 0.484E+00
DAV: 8 -0.903580937226E+02 0.38151E+00 -0.52962E-01 712 0.421E+00 0.174E+00
DAV: 9 -0.902671786778E+02 0.90915E-01 -0.14388E-01 712 0.170E+00 0.453E-01
DAV: 10 -0.902602673708E+02 0.69113E-02 -0.38104E-02 720 0.137E+00 0.356E-01
DAV: 11 -0.902612607589E+02 -0.99339E-03 -0.68232E-03 688 0.548E-01 0.239E-01
DAV: 12 -0.902633865966E+02 -0.21258E-02 -0.59407E-03 608 0.417E-01 0.101E-01
DAV: 13 -0.902668584304E+02 -0.34718E-02 -0.16708E-03 620 0.200E-01 0.104E-01
DAV: 14 -0.902707740003E+02 -0.39156E-02 -0.15796E-03 630 0.215E-01 0.393E-02
DAV: 15 -0.902745287244E+02 -0.37547E-02 -0.72847E-04 666 0.126E-01 0.463E-02
DAV: 16 -0.902771352480E+02 -0.26065E-02 -0.56580E-04 717 0.142E-01 0.211E-02
DAV: 17 -0.902776299230E+02 -0.49468E-03 -0.66695E-05 720 0.551E-02 0.159E-02
DAV: 18 -0.902782390430E+02 -0.60912E-03 -0.14964E-04 611 0.611E-02 0.120E-02
DAV: 19 -0.902783056211E+02 -0.66578E-04 -0.10430E-05 512 0.289E-02 0.655E-03
DAV: 20 -0.902783998890E+02 -0.94268E-04 -0.38440E-05 595 0.331E-02 0.788E-03
DAV: 21 -0.902784099444E+02 -0.10055E-04 -0.44803E-06 520 0.225E-02 0.304E-03
DAV: 22 -0.902784286780E+02 -0.18734E-04 -0.77842E-06 389 0.140E-02 0.299E-03
DAV: 23 -0.902784318618E+02 -0.31839E-05 -0.19535E-06 488 0.682E-03
1 F= -.90278432E+02 E0= -.90286583E+02 d E =0.244546E-01