iterations/neb0_image01_iter275_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 0.362216796208E+03 0.36222E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.259999820172E+01 -0.35962E+03 -0.34727E+03 836 0.195E+02
DAV: 3 -0.956164071665E+02 -0.98216E+02 -0.97876E+02 661 0.115E+02
DAV: 4 -0.100183144100E+03 -0.45667E+01 -0.45539E+01 704 0.286E+01
DAV: 5 -0.100271446155E+03 -0.88302E-01 -0.88262E-01 728 0.360E+00 0.221E+01
DAV: 6 -0.916882215616E+02 0.85832E+01 -0.30929E+01 685 0.299E+01 0.116E+01
DAV: 7 -0.908915336549E+02 0.79669E+00 -0.18433E+00 720 0.640E+00 0.483E+00
DAV: 8 -0.905143415807E+02 0.37719E+00 -0.55257E-01 704 0.430E+00 0.169E+00
DAV: 9 -0.904286441042E+02 0.85697E-01 -0.13629E-01 720 0.165E+00 0.427E-01
DAV: 10 -0.904234063769E+02 0.52377E-02 -0.44737E-02 709 0.124E+00 0.314E-01
DAV: 11 -0.904271234543E+02 -0.37171E-02 -0.64139E-03 608 0.474E-01 0.145E-01
DAV: 12 -0.904306347647E+02 -0.35113E-02 -0.71262E-03 623 0.501E-01 0.128E-01
DAV: 13 -0.904333311228E+02 -0.26964E-02 -0.14910E-03 848 0.306E-01 0.765E-02
DAV: 14 -0.904363738318E+02 -0.30427E-02 -0.13758E-03 642 0.175E-01 0.575E-02
DAV: 15 -0.904384699167E+02 -0.20961E-02 -0.39404E-04 680 0.118E-01 0.449E-02
DAV: 16 -0.904398974161E+02 -0.14275E-02 -0.75911E-04 658 0.161E-01 0.349E-02
DAV: 17 -0.904406516365E+02 -0.75422E-03 -0.15661E-04 760 0.908E-02 0.218E-02
DAV: 18 -0.904408228221E+02 -0.17119E-03 -0.60244E-05 688 0.381E-02 0.113E-02
DAV: 19 -0.904410432530E+02 -0.22043E-03 -0.45118E-05 572 0.327E-02 0.474E-03
DAV: 20 -0.904410695717E+02 -0.26319E-04 -0.43938E-06 488 0.151E-02 0.517E-03
DAV: 21 -0.904411046044E+02 -0.35033E-04 -0.69494E-06 431 0.157E-02 0.526E-03
DAV: 22 -0.904411232084E+02 -0.18604E-04 -0.30850E-06 477 0.114E-02 0.322E-03
DAV: 23 -0.904411257266E+02 -0.25182E-05 -0.46816E-06 528 0.124E-02
1 F= -.90441126E+02 E0= -.90446454E+02 d E =0.159851E-01