iterations/neb0_image09_iter201_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 0.374027163862E+03 0.37403E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.325247106494E+01 -0.37077E+03 -0.35811E+03 869 0.196E+02
DAV: 3 -0.967309851129E+02 -0.99983E+02 -0.99653E+02 661 0.117E+02
DAV: 4 -0.101263876134E+03 -0.45329E+01 -0.45224E+01 720 0.287E+01
DAV: 5 -0.101352644694E+03 -0.88769E-01 -0.88727E-01 720 0.365E+00 0.227E+01
DAV: 6 -0.926775974371E+02 0.86750E+01 -0.31007E+01 714 0.301E+01 0.119E+01
DAV: 7 -0.918096706032E+02 0.86793E+00 -0.17181E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914339365704E+02 0.37573E+00 -0.54221E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913525258089E+02 0.81411E-01 -0.13130E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913442699523E+02 0.82559E-02 -0.44371E-02 776 0.110E+00 0.300E-01
DAV: 11 -0.913487058935E+02 -0.44359E-02 -0.12068E-02 616 0.573E-01 0.134E-01
DAV: 12 -0.913518808490E+02 -0.31750E-02 -0.28567E-03 623 0.245E-01 0.109E-01
DAV: 13 -0.913553845111E+02 -0.35037E-02 -0.13452E-03 685 0.199E-01 0.433E-02
DAV: 14 -0.913587852533E+02 -0.34007E-02 -0.71153E-04 664 0.155E-01 0.354E-02
DAV: 15 -0.913599645466E+02 -0.11793E-02 -0.12639E-04 696 0.793E-02 0.336E-02
DAV: 16 -0.913614343651E+02 -0.14698E-02 -0.40102E-04 637 0.107E-01 0.218E-02
DAV: 17 -0.913617771579E+02 -0.34279E-03 -0.80467E-05 744 0.701E-02 0.125E-02
DAV: 18 -0.913619951010E+02 -0.21794E-03 -0.34404E-05 584 0.263E-02 0.960E-03
DAV: 19 -0.913621204863E+02 -0.12539E-03 -0.14296E-05 461 0.178E-02 0.443E-03
DAV: 20 -0.913621614541E+02 -0.40968E-04 -0.79043E-06 448 0.164E-02 0.209E-03
DAV: 21 -0.913621789741E+02 -0.17520E-04 -0.46333E-06 437 0.105E-02 0.251E-03
DAV: 22 -0.913621819144E+02 -0.29404E-05 -0.75160E-07 504 0.525E-03
1 F= -.91362182E+02 E0= -.91367078E+02 d E =0.146876E-01