./iterations/neb0_image04_iter251_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 0.366553677671E+03 0.36655E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.955969807932E+00 -0.36560E+03 -0.35437E+03 855 0.195E+02
DAV: 3 -0.959126878910E+02 -0.96869E+02 -0.96576E+02 656 0.116E+02
DAV: 4 -0.100280498642E+03 -0.43678E+01 -0.43586E+01 696 0.281E+01
DAV: 5 -0.100368141475E+03 -0.87643E-01 -0.87614E-01 728 0.354E+00 0.223E+01
DAV: 6 -0.916720334731E+02 0.86961E+01 -0.31196E+01 690 0.298E+01 0.117E+01
DAV: 7 -0.908264720944E+02 0.84556E+00 -0.18301E+00 712 0.660E+00 0.485E+00
DAV: 8 -0.904184166146E+02 0.40806E+00 -0.54832E-01 704 0.458E+00 0.180E+00
DAV: 9 -0.903274823152E+02 0.90934E-01 -0.14680E-01 720 0.224E+00 0.615E-01
DAV: 10 -0.903099442942E+02 0.17538E-01 -0.42756E-02 712 0.107E+00 0.364E-01
DAV: 11 -0.903117316809E+02 -0.17874E-02 -0.15031E-02 720 0.642E-01 0.270E-01
DAV: 12 -0.903142169745E+02 -0.24853E-02 -0.35937E-03 680 0.544E-01 0.149E-01
DAV: 13 -0.903174930310E+02 -0.32761E-02 -0.30950E-03 634 0.377E-01 0.112E-01
DAV: 14 -0.903210899946E+02 -0.35970E-02 -0.17715E-03 687 0.259E-01 0.501E-02
DAV: 15 -0.903237707915E+02 -0.26808E-02 -0.68776E-04 656 0.126E-01 0.488E-02
DAV: 16 -0.903259267688E+02 -0.21560E-02 -0.50071E-04 816 0.176E-01 0.354E-02
DAV: 17 -0.903271631161E+02 -0.12363E-02 -0.25727E-04 658 0.776E-02 0.350E-02
DAV: 18 -0.903276890259E+02 -0.52591E-03 -0.12308E-04 797 0.827E-02 0.143E-02
DAV: 19 -0.903279444379E+02 -0.25541E-03 -0.88555E-05 655 0.531E-02 0.131E-02
DAV: 20 -0.903280687848E+02 -0.12435E-03 -0.89612E-06 477 0.175E-02 0.109E-02
DAV: 21 -0.903281580521E+02 -0.89267E-04 -0.27168E-05 535 0.308E-02 0.352E-03
DAV: 22 -0.903281936254E+02 -0.35573E-04 -0.54612E-06 464 0.122E-02 0.246E-03
DAV: 23 -0.903281990987E+02 -0.54733E-05 -0.12561E-06 520 0.531E-03
1 F= -.90328199E+02 E0= -.90336312E+02 d E =0.243400E-01