./iterations/neb0_image02_iter116_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 0.364834319180E+03 0.36483E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.397127896730E+01 -0.36086E+03 -0.34629E+03 834 0.195E+02
DAV: 3 -0.956213363400E+02 -0.99593E+02 -0.99259E+02 680 0.116E+02
DAV: 4 -0.100200696607E+03 -0.45794E+01 -0.45682E+01 712 0.282E+01
DAV: 5 -0.100289289164E+03 -0.88593E-01 -0.88556E-01 728 0.352E+00 0.222E+01
DAV: 6 -0.916701859580E+02 0.86191E+01 -0.30936E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908506298281E+02 0.81956E+00 -0.18419E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.904660522973E+02 0.38458E+00 -0.55845E-01 696 0.428E+00 0.169E+00
DAV: 9 -0.903764578359E+02 0.89594E-01 -0.13856E-01 704 0.166E+00 0.432E-01
DAV: 10 -0.903702729319E+02 0.61849E-02 -0.48656E-02 704 0.129E+00 0.325E-01
DAV: 11 -0.903739130824E+02 -0.36402E-02 -0.73615E-03 608 0.501E-01 0.146E-01
DAV: 12 -0.903773417196E+02 -0.34286E-02 -0.76913E-03 624 0.482E-01 0.136E-01
DAV: 13 -0.903799424463E+02 -0.26007E-02 -0.16958E-03 920 0.344E-01 0.799E-02
DAV: 14 -0.903830660257E+02 -0.31236E-02 -0.14255E-03 637 0.181E-01 0.606E-02
DAV: 15 -0.903852607917E+02 -0.21948E-02 -0.36178E-04 688 0.106E-01 0.457E-02
DAV: 16 -0.903867608890E+02 -0.15001E-02 -0.74904E-04 650 0.158E-01 0.340E-02
DAV: 17 -0.903876234759E+02 -0.86259E-03 -0.15645E-04 701 0.868E-02 0.225E-02
DAV: 18 -0.903877866076E+02 -0.16313E-03 -0.58655E-05 704 0.389E-02 0.105E-02
DAV: 19 -0.903879648600E+02 -0.17825E-03 -0.30833E-05 522 0.287E-02 0.369E-03
DAV: 20 -0.903880183376E+02 -0.53478E-04 -0.55465E-06 469 0.143E-02 0.482E-03
DAV: 21 -0.903880509279E+02 -0.32590E-04 -0.58762E-06 429 0.147E-02 0.545E-03
DAV: 22 -0.903880743740E+02 -0.23446E-04 -0.50517E-06 474 0.140E-02 0.287E-03
DAV: 23 -0.903880764614E+02 -0.20873E-05 -0.45439E-06 544 0.117E-02
1 F= -.90388076E+02 E0= -.90393706E+02 d E =0.168878E-01