iterations/neb0_image02_iter121_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 0.364869105693E+03 0.36487E+03 -0.14330E+04 632 0.799E+02
DAV: 2 0.398930419905E+01 -0.36088E+03 -0.34632E+03 834 0.195E+02
DAV: 3 -0.955829572114E+02 -0.99572E+02 -0.99240E+02 672 0.116E+02
DAV: 4 -0.100204689453E+03 -0.46217E+01 -0.46107E+01 712 0.286E+01
DAV: 5 -0.100293794961E+03 -0.89106E-01 -0.89068E-01 728 0.357E+00 0.222E+01
DAV: 6 -0.916736647516E+02 0.86201E+01 -0.30917E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908525691275E+02 0.82110E+00 -0.18416E+00 704 0.634E+00 0.483E+00
DAV: 8 -0.904683900192E+02 0.38418E+00 -0.55632E-01 696 0.427E+00 0.169E+00
DAV: 9 -0.903792942188E+02 0.89096E-01 -0.13936E-01 704 0.166E+00 0.433E-01
DAV: 10 -0.903732264248E+02 0.60678E-02 -0.48521E-02 696 0.130E+00 0.326E-01
DAV: 11 -0.903767218671E+02 -0.34954E-02 -0.71496E-03 608 0.498E-01 0.152E-01
DAV: 12 -0.903801545738E+02 -0.34327E-02 -0.80708E-03 624 0.499E-01 0.137E-01
DAV: 13 -0.903828550621E+02 -0.27005E-02 -0.17745E-03 920 0.351E-01 0.805E-02
DAV: 14 -0.903859105545E+02 -0.30555E-02 -0.13888E-03 640 0.176E-01 0.606E-02
DAV: 15 -0.903881269212E+02 -0.22164E-02 -0.38032E-04 669 0.108E-01 0.451E-02
DAV: 16 -0.903896265919E+02 -0.14997E-02 -0.72503E-04 656 0.154E-01 0.335E-02
DAV: 17 -0.903904695681E+02 -0.84298E-03 -0.13874E-04 677 0.792E-02 0.237E-02
DAV: 18 -0.903906708707E+02 -0.20130E-03 -0.67059E-05 680 0.414E-02 0.978E-03
DAV: 19 -0.903908418016E+02 -0.17093E-03 -0.26448E-05 498 0.264E-02 0.323E-03
DAV: 20 -0.903908961078E+02 -0.54306E-04 -0.61862E-06 480 0.129E-02 0.516E-03
DAV: 21 -0.903909328871E+02 -0.36779E-04 -0.51290E-06 434 0.137E-02 0.479E-03
DAV: 22 -0.903909507173E+02 -0.17830E-04 -0.45381E-06 474 0.124E-02 0.300E-03
DAV: 23 -0.903909524937E+02 -0.17764E-05 -0.37680E-06 544 0.114E-02
1 F= -.90390952E+02 E0= -.90396992E+02 d E =0.181191E-01