iterations/neb0_image03_iter290_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 0.363202423584E+03 0.36320E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.121243386385E+01 -0.36199E+03 -0.34946E+03 853 0.195E+02
DAV: 3 -0.958909841968E+02 -0.97103E+02 -0.96790E+02 664 0.115E+02
DAV: 4 -0.100280545414E+03 -0.43896E+01 -0.43806E+01 704 0.282E+01
DAV: 5 -0.100366097799E+03 -0.85552E-01 -0.85532E-01 736 0.354E+00 0.223E+01
DAV: 6 -0.916887712544E+02 0.86773E+01 -0.31507E+01 672 0.300E+01 0.117E+01
DAV: 7 -0.908617033614E+02 0.82707E+00 -0.17851E+00 704 0.628E+00 0.484E+00
DAV: 8 -0.904754781002E+02 0.38623E+00 -0.54801E-01 696 0.424E+00 0.171E+00
DAV: 9 -0.903862026283E+02 0.89275E-01 -0.13698E-01 712 0.172E+00 0.440E-01
DAV: 10 -0.903801102521E+02 0.60924E-02 -0.44351E-02 720 0.118E+00 0.327E-01
DAV: 11 -0.903836134328E+02 -0.35032E-02 -0.59477E-03 632 0.595E-01 0.124E-01
DAV: 12 -0.903870231855E+02 -0.34098E-02 -0.54301E-03 616 0.354E-01 0.114E-01
DAV: 13 -0.903910943568E+02 -0.40712E-02 -0.12152E-03 767 0.244E-01 0.756E-02
DAV: 14 -0.903947161312E+02 -0.36218E-02 -0.13412E-03 648 0.162E-01 0.529E-02
DAV: 15 -0.903967964717E+02 -0.20803E-02 -0.30938E-04 696 0.110E-01 0.210E-02
DAV: 16 -0.903981947441E+02 -0.13983E-02 -0.32579E-04 666 0.961E-02 0.304E-02
DAV: 17 -0.903985594159E+02 -0.36467E-03 -0.10466E-04 760 0.763E-02 0.134E-02
DAV: 18 -0.903988314336E+02 -0.27202E-03 -0.49816E-05 637 0.364E-02 0.795E-03
DAV: 19 -0.903990596445E+02 -0.22821E-03 -0.26041E-05 532 0.229E-02 0.471E-03
DAV: 20 -0.903991395316E+02 -0.79887E-04 -0.85798E-06 480 0.146E-02 0.213E-03
DAV: 21 -0.903991864110E+02 -0.46879E-04 -0.75985E-06 433 0.105E-02 0.157E-03
DAV: 22 -0.903991919685E+02 -0.55574E-05 -0.11502E-06 536 0.544E-03
1 F= -.90399192E+02 E0= -.90407578E+02 d E =0.251592E-01