./iterations/neb0_image05_iter271_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 0.367190324542E+03 0.36719E+03 -0.14304E+04 624 0.799E+02
DAV: 2 0.377361695964E+01 -0.36342E+03 -0.35041E+03 847 0.195E+02
DAV: 3 -0.952922510392E+02 -0.99066E+02 -0.98716E+02 640 0.116E+02
DAV: 4 -0.100133615631E+03 -0.48414E+01 -0.48286E+01 704 0.301E+01
DAV: 5 -0.100229724316E+03 -0.96109E-01 -0.96056E-01 728 0.383E+00 0.222E+01
DAV: 6 -0.915969625290E+02 0.86328E+01 -0.31304E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.907752103755E+02 0.82175E+00 -0.17375E+00 704 0.627E+00 0.484E+00
DAV: 8 -0.903950685859E+02 0.38014E+00 -0.56009E-01 728 0.431E+00 0.167E+00
DAV: 9 -0.903082812472E+02 0.86787E-01 -0.12676E-01 728 0.169E+00 0.435E-01
DAV: 10 -0.903009238501E+02 0.73574E-02 -0.46450E-02 714 0.121E+00 0.322E-01
DAV: 11 -0.903048956309E+02 -0.39718E-02 -0.89318E-03 624 0.613E-01 0.122E-01
DAV: 12 -0.903074240023E+02 -0.25284E-02 -0.61909E-03 625 0.387E-01 0.136E-01
DAV: 13 -0.903102209290E+02 -0.27969E-02 -0.22364E-03 864 0.349E-01 0.824E-02
DAV: 14 -0.903144006301E+02 -0.41797E-02 -0.16961E-03 632 0.190E-01 0.729E-02
DAV: 15 -0.903165107096E+02 -0.21101E-02 -0.31784E-04 816 0.118E-01 0.423E-02
DAV: 16 -0.903186462546E+02 -0.21355E-02 -0.13620E-03 647 0.222E-01 0.582E-02
DAV: 17 -0.903190423091E+02 -0.39605E-03 -0.23809E-04 880 0.103E-01 0.335E-02
DAV: 18 -0.903192106352E+02 -0.16833E-03 -0.42298E-05 672 0.391E-02 0.251E-02
DAV: 19 -0.903196048387E+02 -0.39420E-03 -0.16979E-04 761 0.826E-02 0.118E-02
DAV: 20 -0.903196290598E+02 -0.24221E-04 -0.21710E-05 600 0.289E-02 0.108E-02
DAV: 21 -0.903196750515E+02 -0.45992E-04 -0.14154E-05 419 0.231E-02 0.737E-03
DAV: 22 -0.903196941322E+02 -0.19081E-04 -0.45623E-06 496 0.130E-02 0.472E-03
DAV: 23 -0.903197066038E+02 -0.12472E-04 -0.63867E-06 409 0.142E-02 0.215E-03
DAV: 24 -0.903197087297E+02 -0.21260E-05 -0.13508E-06 488 0.629E-03
1 F= -.90319709E+02 E0= -.90324195E+02 d E =0.134578E-01