iterations/neb0_image03_iter103_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 0.367033592719E+03 0.36703E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.300280823233E+01 -0.36403E+03 -0.35068E+03 845 0.195E+02
DAV: 3 -0.955475445646E+02 -0.98550E+02 -0.98231E+02 656 0.116E+02
DAV: 4 -0.100176059545E+03 -0.46285E+01 -0.46186E+01 712 0.291E+01
DAV: 5 -0.100267347805E+03 -0.91288E-01 -0.91251E-01 736 0.366E+00 0.222E+01
DAV: 6 -0.916706763338E+02 0.85967E+01 -0.30639E+01 685 0.296E+01 0.116E+01
DAV: 7 -0.908245618831E+02 0.84611E+00 -0.18294E+00 712 0.642E+00 0.483E+00
DAV: 8 -0.904217661960E+02 0.40280E+00 -0.56550E-01 688 0.438E+00 0.169E+00
DAV: 9 -0.903268639949E+02 0.94902E-01 -0.13310E-01 696 0.190E+00 0.470E-01
DAV: 10 -0.903178401072E+02 0.90239E-02 -0.37543E-02 728 0.982E-01 0.340E-01
DAV: 11 -0.903200193596E+02 -0.21793E-02 -0.74683E-03 712 0.626E-01 0.163E-01
DAV: 12 -0.903219132771E+02 -0.18939E-02 -0.35441E-03 618 0.372E-01 0.114E-01
DAV: 13 -0.903262854238E+02 -0.43721E-02 -0.28527E-03 632 0.272E-01 0.830E-02
DAV: 14 -0.903309319018E+02 -0.46465E-02 -0.11351E-03 653 0.167E-01 0.468E-02
DAV: 15 -0.903326924711E+02 -0.17606E-02 -0.24392E-04 792 0.964E-02 0.228E-02
DAV: 16 -0.903345070651E+02 -0.18146E-02 -0.16125E-04 661 0.586E-02 0.146E-02
DAV: 17 -0.903355732671E+02 -0.10662E-02 -0.89111E-05 608 0.426E-02 0.824E-03
DAV: 18 -0.903359294942E+02 -0.35623E-03 -0.48270E-05 600 0.309E-02 0.653E-03
DAV: 19 -0.903359985016E+02 -0.69007E-04 -0.75266E-06 528 0.259E-02 0.398E-03
DAV: 20 -0.903360797132E+02 -0.81212E-04 -0.16876E-05 468 0.207E-02 0.598E-03
DAV: 21 -0.903361023811E+02 -0.22668E-04 -0.38212E-06 488 0.159E-02 0.288E-03
DAV: 22 -0.903361118956E+02 -0.95145E-05 -0.68633E-06 448 0.163E-02
1 F= -.90336112E+02 E0= -.90344745E+02 d E =0.259006E-01