./iterations/neb0_image01_iter72_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 0.366419929688E+03 0.36642E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.341115324284E+01 -0.36301E+03 -0.34960E+03 839 0.195E+02
DAV: 3 -0.957590851865E+02 -0.99170E+02 -0.98829E+02 688 0.116E+02
DAV: 4 -0.100178335404E+03 -0.44193E+01 -0.44100E+01 693 0.278E+01
DAV: 5 -0.100265844321E+03 -0.87509E-01 -0.87458E-01 744 0.349E+00 0.222E+01
DAV: 6 -0.916747514414E+02 0.85911E+01 -0.31124E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908629189660E+02 0.81183E+00 -0.18105E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904816560982E+02 0.38126E+00 -0.55994E-01 712 0.427E+00 0.167E+00
DAV: 9 -0.903970921621E+02 0.84564E-01 -0.13676E-01 704 0.164E+00 0.430E-01
DAV: 10 -0.903914677748E+02 0.56244E-02 -0.45025E-02 720 0.126E+00 0.315E-01
DAV: 11 -0.903951911690E+02 -0.37234E-02 -0.65477E-03 616 0.462E-01 0.152E-01
DAV: 12 -0.903986842636E+02 -0.34931E-02 -0.70397E-03 616 0.495E-01 0.125E-01
DAV: 13 -0.904015707367E+02 -0.28865E-02 -0.12139E-03 784 0.294E-01 0.789E-02
DAV: 14 -0.904044292007E+02 -0.28585E-02 -0.16439E-03 639 0.195E-01 0.594E-02
DAV: 15 -0.904066727652E+02 -0.22436E-02 -0.43819E-04 744 0.139E-01 0.414E-02
DAV: 16 -0.904078265316E+02 -0.11538E-02 -0.54480E-04 661 0.131E-01 0.338E-02
DAV: 17 -0.904087371630E+02 -0.91063E-03 -0.18332E-04 823 0.911E-02 0.188E-02
DAV: 18 -0.904089279306E+02 -0.19077E-03 -0.43037E-05 704 0.320E-02 0.138E-02
DAV: 19 -0.904091685598E+02 -0.24063E-03 -0.54199E-05 633 0.386E-02 0.570E-03
DAV: 20 -0.904092090770E+02 -0.40517E-04 -0.39524E-06 480 0.130E-02 0.499E-03
DAV: 21 -0.904092546099E+02 -0.45533E-04 -0.82946E-06 408 0.163E-02 0.167E-03
DAV: 22 -0.904092676996E+02 -0.13090E-04 -0.29154E-06 477 0.800E-03 0.173E-03
DAV: 23 -0.904092707041E+02 -0.30045E-05 -0.61147E-07 496 0.344E-03
1 F= -.90409271E+02 E0= -.90414438E+02 d E =0.155028E-01