./iterations/neb0_image04_iter185_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 0.363551886914E+03 0.36355E+03 -0.14358E+04 640 0.799E+02
DAV: 2 0.890969638860E+00 -0.36266E+03 -0.34983E+03 863 0.193E+02
DAV: 3 -0.961306545906E+02 -0.97022E+02 -0.96727E+02 677 0.115E+02
DAV: 4 -0.100278711437E+03 -0.41481E+01 -0.41383E+01 696 0.272E+01
DAV: 5 -0.100356679359E+03 -0.77968E-01 -0.77938E-01 728 0.339E+00 0.224E+01
DAV: 6 -0.916387794956E+02 0.87179E+01 -0.31093E+01 698 0.298E+01 0.117E+01
DAV: 7 -0.907737895988E+02 0.86499E+00 -0.17950E+00 696 0.630E+00 0.483E+00
DAV: 8 -0.903641317692E+02 0.40966E+00 -0.56527E-01 712 0.424E+00 0.163E+00
DAV: 9 -0.902688037656E+02 0.95328E-01 -0.12922E-01 712 0.175E+00 0.449E-01
DAV: 10 -0.902601889830E+02 0.86148E-02 -0.35003E-02 720 0.954E-01 0.318E-01
DAV: 11 -0.902627035096E+02 -0.25145E-02 -0.64319E-03 688 0.446E-01 0.150E-01
DAV: 12 -0.902661309994E+02 -0.34275E-02 -0.26874E-03 629 0.330E-01 0.105E-01
DAV: 13 -0.902703860105E+02 -0.42550E-02 -0.15159E-03 617 0.222E-01 0.944E-02
DAV: 14 -0.902744233330E+02 -0.40373E-02 -0.19762E-03 639 0.247E-01 0.545E-02
DAV: 15 -0.902756465918E+02 -0.12233E-02 -0.24481E-04 696 0.101E-01 0.381E-02
DAV: 16 -0.902779687244E+02 -0.23221E-02 -0.66493E-04 686 0.149E-01 0.312E-02
DAV: 17 -0.902785964926E+02 -0.62777E-03 -0.80584E-05 680 0.626E-02 0.224E-02
DAV: 18 -0.902792515535E+02 -0.65506E-03 -0.14913E-04 711 0.640E-02 0.854E-03
DAV: 19 -0.902795039109E+02 -0.25236E-03 -0.32197E-05 592 0.271E-02 0.850E-03
DAV: 20 -0.902796261391E+02 -0.12223E-03 -0.12567E-05 436 0.187E-02 0.429E-03
DAV: 21 -0.902796687046E+02 -0.42565E-04 -0.16995E-05 536 0.229E-02 0.480E-03
DAV: 22 -0.902796860286E+02 -0.17324E-04 -0.32328E-06 401 0.139E-02 0.217E-03
DAV: 23 -0.902796875802E+02 -0.15516E-05 -0.19393E-06 520 0.709E-03
1 F= -.90279688E+02 E0= -.90288360E+02 d E =0.260159E-01