iterations/neb0_image01_iter9_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 0.364873949624E+03 0.36487E+03 -0.14287E+04 624 0.799E+02
DAV: 2 0.246869855072E+01 -0.36241E+03 -0.35053E+03 847 0.195E+02
DAV: 3 -0.957431938524E+02 -0.98212E+02 -0.97893E+02 696 0.116E+02
DAV: 4 -0.999932597129E+02 -0.42501E+01 -0.42394E+01 704 0.271E+01
DAV: 5 -0.100077466634E+03 -0.84207E-01 -0.84157E-01 728 0.339E+00 0.222E+01
DAV: 6 -0.914293807081E+02 0.86481E+01 -0.31077E+01 688 0.298E+01 0.116E+01
DAV: 7 -0.906072916828E+02 0.82209E+00 -0.17946E+00 712 0.640E+00 0.484E+00
DAV: 8 -0.902268843597E+02 0.38041E+00 -0.58873E-01 728 0.440E+00 0.166E+00
DAV: 9 -0.901450807341E+02 0.81804E-01 -0.13248E-01 728 0.162E+00 0.435E-01
DAV: 10 -0.901397432124E+02 0.53375E-02 -0.42834E-02 720 0.119E+00 0.315E-01
DAV: 11 -0.901432688075E+02 -0.35256E-02 -0.54194E-03 608 0.486E-01 0.146E-01
DAV: 12 -0.901468613469E+02 -0.35925E-02 -0.68455E-03 624 0.435E-01 0.127E-01
DAV: 13 -0.901500446026E+02 -0.31833E-02 -0.16346E-03 837 0.327E-01 0.744E-02
DAV: 14 -0.901526029667E+02 -0.25584E-02 -0.10064E-03 626 0.139E-01 0.525E-02
DAV: 15 -0.901549254390E+02 -0.23225E-02 -0.34313E-04 680 0.968E-02 0.309E-02
DAV: 16 -0.901561943038E+02 -0.12689E-02 -0.31333E-04 685 0.916E-02 0.244E-02
DAV: 17 -0.901568333684E+02 -0.63906E-03 -0.64653E-05 693 0.507E-02 0.144E-02
DAV: 18 -0.901572457062E+02 -0.41234E-03 -0.10751E-04 650 0.514E-02 0.118E-02
DAV: 19 -0.901572900259E+02 -0.44320E-04 -0.47792E-06 512 0.205E-02 0.830E-03
DAV: 20 -0.901573730162E+02 -0.82990E-04 -0.51106E-05 602 0.440E-02 0.102E-02
DAV: 21 -0.901573894057E+02 -0.16389E-04 -0.69039E-06 480 0.260E-02 0.479E-03
DAV: 22 -0.901574066290E+02 -0.17223E-04 -0.11444E-05 428 0.172E-02 0.188E-03
DAV: 23 -0.901574114100E+02 -0.47810E-05 -0.16608E-06 504 0.607E-03
1 F= -.90157411E+02 E0= -.90165102E+02 d E =0.230712E-01