iterations/neb0_image09_iter246_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 0.374219856556E+03 0.37422E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.330814762962E+01 -0.37091E+03 -0.35829E+03 869 0.196E+02
DAV: 3 -0.967629882360E+02 -0.10007E+03 -0.99742E+02 661 0.117E+02
DAV: 4 -0.101288200828E+03 -0.45252E+01 -0.45146E+01 720 0.287E+01
DAV: 5 -0.101376723189E+03 -0.88522E-01 -0.88484E-01 728 0.364E+00 0.227E+01
DAV: 6 -0.926866159202E+02 0.86901E+01 -0.30980E+01 720 0.301E+01 0.119E+01
DAV: 7 -0.918122573254E+02 0.87436E+00 -0.17174E+00 720 0.612E+00 0.480E+00
DAV: 8 -0.914355037496E+02 0.37675E+00 -0.54479E-01 712 0.395E+00 0.162E+00
DAV: 9 -0.913547900169E+02 0.80714E-01 -0.13238E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913467010917E+02 0.80889E-02 -0.44167E-02 760 0.109E+00 0.301E-01
DAV: 11 -0.913510579967E+02 -0.43569E-02 -0.11966E-02 608 0.570E-01 0.132E-01
DAV: 12 -0.913542993746E+02 -0.32414E-02 -0.28429E-03 623 0.242E-01 0.108E-01
DAV: 13 -0.913577799465E+02 -0.34806E-02 -0.13326E-03 685 0.198E-01 0.423E-02
DAV: 14 -0.913611130461E+02 -0.33331E-02 -0.67439E-04 656 0.147E-01 0.347E-02
DAV: 15 -0.913623760266E+02 -0.12630E-02 -0.12258E-04 768 0.742E-02 0.320E-02
DAV: 16 -0.913638443240E+02 -0.14683E-02 -0.34209E-04 642 0.941E-02 0.183E-02
DAV: 17 -0.913642205970E+02 -0.37627E-03 -0.66721E-05 744 0.595E-02 0.123E-02
DAV: 18 -0.913644393646E+02 -0.21877E-03 -0.32291E-05 565 0.245E-02 0.873E-03
DAV: 19 -0.913645224452E+02 -0.83081E-04 -0.10170E-05 488 0.155E-02 0.370E-03
DAV: 20 -0.913645562314E+02 -0.33786E-04 -0.62059E-06 432 0.149E-02 0.170E-03
DAV: 21 -0.913645710940E+02 -0.14863E-04 -0.27611E-06 448 0.725E-03 0.215E-03
DAV: 22 -0.913645738283E+02 -0.27343E-05 -0.57874E-07 496 0.494E-03
1 F= -.91364574E+02 E0= -.91369388E+02 d E =0.144434E-01