./iterations/neb0_image05_iter18_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 0.358471045644E+03 0.35847E+03 -0.14226E+04 632 0.799E+02
DAV: 2 0.485794358316E+01 -0.35361E+03 -0.34175E+03 858 0.192E+02
DAV: 3 -0.915997816807E+02 -0.96458E+02 -0.95922E+02 653 0.114E+02
DAV: 4 -0.965225992666E+02 -0.49228E+01 -0.49034E+01 728 0.293E+01
DAV: 5 -0.966311633575E+02 -0.10856E+00 -0.10851E+00 704 0.385E+00 0.209E+01
DAV: 6 -0.885739288309E+02 0.80572E+01 -0.30626E+01 701 0.298E+01 0.108E+01
DAV: 7 -0.878873402819E+02 0.68659E+00 -0.15413E+00 720 0.699E+00 0.468E+00
DAV: 8 -0.875541036345E+02 0.33324E+00 -0.66901E-01 712 0.447E+00 0.168E+00
DAV: 9 -0.874790669844E+02 0.75037E-01 -0.14630E-01 720 0.196E+00 0.506E-01
DAV: 10 -0.874715572492E+02 0.75097E-02 -0.18041E-02 744 0.819E-01 0.292E-01
DAV: 11 -0.874729937555E+02 -0.14365E-02 -0.17453E-02 613 0.807E-01 0.187E-01
DAV: 12 -0.874746254291E+02 -0.16317E-02 -0.33476E-03 714 0.437E-01 0.105E-01
DAV: 13 -0.874790772125E+02 -0.44518E-02 -0.41468E-03 636 0.351E-01 0.109E-01
DAV: 14 -0.874816981330E+02 -0.26209E-02 -0.14411E-03 805 0.237E-01 0.552E-02
DAV: 15 -0.874839270521E+02 -0.22289E-02 -0.12349E-03 714 0.231E-01 0.615E-02
DAV: 16 -0.874850845135E+02 -0.11575E-02 -0.37228E-04 885 0.144E-01 0.342E-02
DAV: 17 -0.874854925476E+02 -0.40803E-03 -0.19362E-04 680 0.811E-02 0.159E-02
DAV: 18 -0.874861482180E+02 -0.65567E-03 -0.68713E-05 641 0.458E-02 0.815E-03
DAV: 19 -0.874865264035E+02 -0.37819E-03 -0.36900E-05 589 0.282E-02 0.746E-03
DAV: 20 -0.874866665371E+02 -0.14013E-03 -0.11110E-05 477 0.178E-02 0.278E-03
DAV: 21 -0.874867261994E+02 -0.59662E-04 -0.13150E-05 487 0.172E-02 0.381E-03
DAV: 22 -0.874867399499E+02 -0.13751E-04 -0.21060E-06 485 0.942E-03 0.193E-03
DAV: 23 -0.874867447684E+02 -0.48186E-05 -0.12926E-06 431 0.569E-03
1 F= -.87486745E+02 E0= -.87490626E+02 d E =0.116450E-01