iterations/neb0_image09_iter265_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 0.374194300780E+03 0.37419E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.331052241133E+01 -0.37088E+03 -0.35821E+03 869 0.196E+02
DAV: 3 -0.968672020498E+02 -0.10018E+03 -0.99853E+02 669 0.117E+02
DAV: 4 -0.101301559279E+03 -0.44344E+01 -0.44240E+01 720 0.283E+01
DAV: 5 -0.101387467833E+03 -0.85909E-01 -0.85872E-01 728 0.358E+00 0.227E+01
DAV: 6 -0.926851073785E+02 0.87024E+01 -0.31052E+01 728 0.302E+01 0.119E+01
DAV: 7 -0.918117332943E+02 0.87337E+00 -0.17290E+00 720 0.614E+00 0.480E+00
DAV: 8 -0.914353396297E+02 0.37639E+00 -0.54284E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913543224050E+02 0.81017E-01 -0.13265E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913461464984E+02 0.81759E-02 -0.45148E-02 752 0.110E+00 0.303E-01
DAV: 11 -0.913506899431E+02 -0.45434E-02 -0.13006E-02 608 0.595E-01 0.140E-01
DAV: 12 -0.913537862073E+02 -0.30963E-02 -0.29035E-03 623 0.236E-01 0.113E-01
DAV: 13 -0.913573390117E+02 -0.35528E-02 -0.17725E-03 717 0.226E-01 0.419E-02
DAV: 14 -0.913606781591E+02 -0.33391E-02 -0.54978E-04 656 0.127E-01 0.302E-02
DAV: 15 -0.913621030720E+02 -0.14249E-02 -0.13469E-04 672 0.686E-02 0.304E-02
DAV: 16 -0.913633809294E+02 -0.12779E-02 -0.31364E-04 645 0.893E-02 0.197E-02
DAV: 17 -0.913635948391E+02 -0.21391E-03 -0.38754E-05 624 0.468E-02 0.123E-02
DAV: 18 -0.913638578328E+02 -0.26299E-03 -0.56679E-05 634 0.363E-02 0.100E-02
DAV: 19 -0.913639326291E+02 -0.74796E-04 -0.74383E-06 472 0.197E-02 0.495E-03
DAV: 20 -0.913639658764E+02 -0.33247E-04 -0.16120E-05 448 0.234E-02 0.398E-03
DAV: 21 -0.913639774764E+02 -0.11600E-04 -0.24005E-06 480 0.102E-02 0.282E-03
DAV: 22 -0.913639842215E+02 -0.67450E-05 -0.28306E-06 429 0.105E-02
1 F= -.91363984E+02 E0= -.91368768E+02 d E =0.143508E-01