./iterations/neb0_image07_iter37_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 0.376114473555E+03 0.37611E+03 -0.14326E+04 632 0.799E+02
DAV: 2 0.386563381430E+01 -0.37225E+03 -0.35915E+03 861 0.196E+02
DAV: 3 -0.962506732679E+02 -0.10012E+03 -0.99780E+02 656 0.117E+02
DAV: 4 -0.100758788224E+03 -0.45081E+01 -0.44963E+01 712 0.289E+01
DAV: 5 -0.100847391534E+03 -0.88603E-01 -0.88575E-01 728 0.364E+00 0.229E+01
DAV: 6 -0.921137449720E+02 0.87336E+01 -0.30511E+01 674 0.304E+01 0.120E+01
DAV: 7 -0.912142740510E+02 0.89947E+00 -0.17083E+00 712 0.622E+00 0.482E+00
DAV: 8 -0.908312358235E+02 0.38304E+00 -0.55716E-01 696 0.408E+00 0.165E+00
DAV: 9 -0.907453074811E+02 0.85928E-01 -0.13396E-01 728 0.161E+00 0.437E-01
DAV: 10 -0.907352427071E+02 0.10065E-01 -0.40859E-02 760 0.105E+00 0.296E-01
DAV: 11 -0.907397842544E+02 -0.45415E-02 -0.12426E-02 607 0.620E-01 0.161E-01
DAV: 12 -0.907416520663E+02 -0.18678E-02 -0.19422E-03 656 0.246E-01 0.109E-01
DAV: 13 -0.907464124559E+02 -0.47604E-02 -0.33910E-03 625 0.331E-01 0.676E-02
DAV: 14 -0.907479576859E+02 -0.15452E-02 -0.44038E-04 720 0.163E-01 0.416E-02
DAV: 15 -0.907513579580E+02 -0.34003E-02 -0.90946E-04 630 0.175E-01 0.371E-02
DAV: 16 -0.907522027898E+02 -0.84483E-03 -0.11189E-04 760 0.831E-02 0.254E-02
DAV: 17 -0.907531161014E+02 -0.91331E-03 -0.17649E-04 682 0.784E-02 0.119E-02
DAV: 18 -0.907536562654E+02 -0.54016E-03 -0.60474E-05 677 0.362E-02 0.111E-02
DAV: 19 -0.907538304446E+02 -0.17418E-03 -0.12206E-05 480 0.155E-02 0.740E-03
DAV: 20 -0.907539121941E+02 -0.81750E-04 -0.22832E-05 489 0.250E-02 0.382E-03
DAV: 21 -0.907539261608E+02 -0.13967E-04 -0.29685E-06 512 0.108E-02 0.263E-03
DAV: 22 -0.907539375150E+02 -0.11354E-04 -0.23421E-06 386 0.742E-03 0.209E-03
DAV: 23 -0.907539382170E+02 -0.70209E-06 -0.31526E-07 544 0.381E-03
1 F= -.90753938E+02 E0= -.90759351E+02 d E =0.162374E-01