iterations/neb0_image05_iter135_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 0.369415590870E+03 0.36942E+03 -0.14342E+04 640 0.799E+02
DAV: 2 0.402907514626E+01 -0.36539E+03 -0.35249E+03 866 0.193E+02
DAV: 3 -0.943231943430E+02 -0.98352E+02 -0.97957E+02 640 0.116E+02
DAV: 4 -0.990930666176E+02 -0.47699E+01 -0.47562E+01 728 0.298E+01
DAV: 5 -0.991929016126E+02 -0.99835E-01 -0.99790E-01 728 0.383E+00 0.221E+01
DAV: 6 -0.906922973545E+02 0.85006E+01 -0.29451E+01 693 0.293E+01 0.114E+01
DAV: 7 -0.898213247752E+02 0.87097E+00 -0.18005E+00 720 0.659E+00 0.472E+00
DAV: 8 -0.894326823727E+02 0.38864E+00 -0.58431E-01 728 0.434E+00 0.163E+00
DAV: 9 -0.893445755627E+02 0.88107E-01 -0.14335E-01 728 0.167E+00 0.447E-01
DAV: 10 -0.893350586255E+02 0.95169E-02 -0.26893E-02 789 0.856E-01 0.279E-01
DAV: 11 -0.893366920964E+02 -0.16335E-02 -0.70921E-03 704 0.519E-01 0.158E-01
DAV: 12 -0.893387756356E+02 -0.20835E-02 -0.18337E-03 725 0.278E-01 0.105E-01
DAV: 13 -0.893431138900E+02 -0.43383E-02 -0.31380E-03 628 0.309E-01 0.966E-02
DAV: 14 -0.893459982511E+02 -0.28844E-02 -0.71885E-04 776 0.220E-01 0.574E-02
DAV: 15 -0.893488405336E+02 -0.28423E-02 -0.10935E-03 612 0.170E-01 0.456E-02
DAV: 16 -0.893501688020E+02 -0.13283E-02 -0.18331E-04 821 0.102E-01 0.254E-02
DAV: 17 -0.893518697606E+02 -0.17010E-02 -0.32746E-04 625 0.955E-02 0.197E-02
DAV: 18 -0.893523395228E+02 -0.46976E-03 -0.35638E-05 618 0.349E-02 0.146E-02
DAV: 19 -0.893526318581E+02 -0.29234E-03 -0.73267E-05 631 0.511E-02 0.677E-03
DAV: 20 -0.893526975984E+02 -0.65740E-04 -0.74737E-06 512 0.173E-02 0.648E-03
DAV: 21 -0.893527578104E+02 -0.60212E-04 -0.85714E-06 403 0.161E-02 0.442E-03
DAV: 22 -0.893527879201E+02 -0.30110E-04 -0.67259E-06 445 0.158E-02 0.239E-03
DAV: 23 -0.893527930158E+02 -0.50957E-05 -0.23800E-06 512 0.823E-03
1 F= -.89352793E+02 E0= -.89360801E+02 d E =0.240234E-01