iterations/neb0_image07_iter234_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 0.372084359147E+03 0.37208E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.386946983019E+01 -0.36821E+03 -0.35634E+03 866 0.194E+02
DAV: 3 -0.965019798443E+02 -0.10037E+03 -0.10005E+03 677 0.116E+02
DAV: 4 -0.101157762390E+03 -0.46558E+01 -0.46432E+01 696 0.285E+01
DAV: 5 -0.101251094997E+03 -0.93333E-01 -0.93270E-01 736 0.363E+00 0.228E+01
DAV: 6 -0.925984746990E+02 0.86526E+01 -0.30679E+01 720 0.299E+01 0.119E+01
DAV: 7 -0.917357476032E+02 0.86273E+00 -0.17416E+00 728 0.618E+00 0.481E+00
DAV: 8 -0.913604388754E+02 0.37531E+00 -0.54506E-01 728 0.397E+00 0.161E+00
DAV: 9 -0.912798000506E+02 0.80639E-01 -0.13119E-01 720 0.156E+00 0.421E-01
DAV: 10 -0.912710115428E+02 0.87885E-02 -0.40225E-02 744 0.104E+00 0.287E-01
DAV: 11 -0.912752996479E+02 -0.42881E-02 -0.11139E-02 608 0.545E-01 0.137E-01
DAV: 12 -0.912785389314E+02 -0.32393E-02 -0.26335E-03 624 0.272E-01 0.886E-02
DAV: 13 -0.912821115684E+02 -0.35726E-02 -0.11869E-03 639 0.163E-01 0.557E-02
DAV: 14 -0.912857242579E+02 -0.36127E-02 -0.11836E-03 773 0.254E-01 0.523E-02
DAV: 15 -0.912867061235E+02 -0.98187E-03 -0.34637E-04 704 0.124E-01 0.395E-02
DAV: 16 -0.912878642214E+02 -0.11581E-02 -0.27513E-04 725 0.901E-02 0.127E-02
DAV: 17 -0.912886693170E+02 -0.80510E-03 -0.89412E-05 688 0.442E-02 0.122E-02
DAV: 18 -0.912889680238E+02 -0.29871E-03 -0.23932E-05 568 0.193E-02 0.824E-03
DAV: 19 -0.912890855834E+02 -0.11756E-03 -0.20451E-05 528 0.250E-02 0.278E-03
DAV: 20 -0.912891213322E+02 -0.35749E-04 -0.45670E-06 469 0.106E-02 0.262E-03
DAV: 21 -0.912891298757E+02 -0.85435E-05 -0.14994E-06 456 0.575E-03
1 F= -.91289130E+02 E0= -.91294283E+02 d E =0.154585E-01