./iterations/neb0_image01_iter42_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 0.366892267994E+03 0.36689E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.348667485444E+01 -0.36341E+03 -0.34997E+03 839 0.195E+02
DAV: 3 -0.955834401301E+02 -0.99070E+02 -0.98726E+02 669 0.116E+02
DAV: 4 -0.100199525351E+03 -0.46161E+01 -0.46062E+01 693 0.287E+01
DAV: 5 -0.100292604199E+03 -0.93079E-01 -0.93025E-01 736 0.361E+00 0.223E+01
DAV: 6 -0.916691202926E+02 0.86235E+01 -0.30995E+01 704 0.298E+01 0.117E+01
DAV: 7 -0.908488350547E+02 0.82029E+00 -0.18377E+00 720 0.636E+00 0.483E+00
DAV: 8 -0.904673894571E+02 0.38145E+00 -0.56102E-01 704 0.429E+00 0.168E+00
DAV: 9 -0.903818792569E+02 0.85510E-01 -0.13737E-01 696 0.165E+00 0.430E-01
DAV: 10 -0.903761322926E+02 0.57470E-02 -0.44642E-02 728 0.125E+00 0.314E-01
DAV: 11 -0.903799308314E+02 -0.37985E-02 -0.66303E-03 605 0.470E-01 0.146E-01
DAV: 12 -0.903833692210E+02 -0.34384E-02 -0.66367E-03 618 0.478E-01 0.123E-01
DAV: 13 -0.903861777499E+02 -0.28085E-02 -0.11622E-03 797 0.289E-01 0.765E-02
DAV: 14 -0.903891275220E+02 -0.29498E-02 -0.15763E-03 637 0.190E-01 0.588E-02
DAV: 15 -0.903913491480E+02 -0.22216E-02 -0.43296E-04 736 0.138E-01 0.421E-02
DAV: 16 -0.903924984340E+02 -0.11493E-02 -0.56152E-04 672 0.132E-01 0.330E-02
DAV: 17 -0.903934136318E+02 -0.91520E-03 -0.16811E-04 743 0.867E-02 0.202E-02
DAV: 18 -0.903935926256E+02 -0.17899E-03 -0.43047E-05 704 0.328E-02 0.133E-02
DAV: 19 -0.903938518975E+02 -0.25927E-03 -0.54390E-05 627 0.376E-02 0.467E-03
DAV: 20 -0.903938986560E+02 -0.46758E-04 -0.40168E-06 480 0.116E-02 0.445E-03
DAV: 21 -0.903939416860E+02 -0.43030E-04 -0.55743E-06 419 0.125E-02 0.240E-03
DAV: 22 -0.903939585453E+02 -0.16859E-04 -0.34290E-06 477 0.865E-03 0.174E-03
DAV: 23 -0.903939613618E+02 -0.28165E-05 -0.80313E-07 488 0.489E-03
1 F= -.90393961E+02 E0= -.90399730E+02 d E =0.173059E-01