iterations/neb0_image06_iter82_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 0.376263453704E+03 0.37626E+03 -0.14314E+04 632 0.799E+02
DAV: 2 0.370602094020E+01 -0.37256E+03 -0.36024E+03 877 0.195E+02
DAV: 3 -0.956814448427E+02 -0.99387E+02 -0.99073E+02 656 0.117E+02
DAV: 4 -0.100203365492E+03 -0.45219E+01 -0.45110E+01 704 0.289E+01
DAV: 5 -0.100295168165E+03 -0.91803E-01 -0.91770E-01 720 0.368E+00 0.227E+01
DAV: 6 -0.916259928632E+02 0.86692E+01 -0.30925E+01 682 0.307E+01 0.118E+01
DAV: 7 -0.907795270606E+02 0.84647E+00 -0.17059E+00 720 0.627E+00 0.482E+00
DAV: 8 -0.903945436979E+02 0.38498E+00 -0.52619E-01 712 0.401E+00 0.166E+00
DAV: 9 -0.903030359034E+02 0.91508E-01 -0.13216E-01 720 0.161E+00 0.425E-01
DAV: 10 -0.902932612223E+02 0.97747E-02 -0.41367E-02 728 0.104E+00 0.302E-01
DAV: 11 -0.902978083625E+02 -0.45471E-02 -0.12112E-02 618 0.673E-01 0.165E-01
DAV: 12 -0.902993863065E+02 -0.15779E-02 -0.24561E-03 656 0.281E-01 0.115E-01
DAV: 13 -0.903040839544E+02 -0.46976E-02 -0.31080E-03 651 0.345E-01 0.836E-02
DAV: 14 -0.903056443109E+02 -0.15604E-02 -0.39057E-04 784 0.151E-01 0.547E-02
DAV: 15 -0.903089241246E+02 -0.32798E-02 -0.10544E-03 626 0.190E-01 0.383E-02
DAV: 16 -0.903105423967E+02 -0.16183E-02 -0.23768E-04 688 0.909E-02 0.243E-02
DAV: 17 -0.903111447420E+02 -0.60235E-03 -0.12129E-04 792 0.678E-02 0.126E-02
DAV: 18 -0.903118892775E+02 -0.74454E-03 -0.13247E-04 636 0.665E-02 0.141E-02
DAV: 19 -0.903119385726E+02 -0.49295E-04 -0.12379E-05 520 0.279E-02 0.108E-02
DAV: 20 -0.903120195216E+02 -0.80949E-04 -0.33257E-05 553 0.362E-02 0.517E-03
DAV: 21 -0.903120652582E+02 -0.45737E-04 -0.59374E-06 469 0.145E-02 0.527E-03
DAV: 22 -0.903120917271E+02 -0.26469E-04 -0.28808E-06 411 0.940E-03 0.443E-03
DAV: 23 -0.903121006383E+02 -0.89112E-05 -0.46680E-06 455 0.157E-02
1 F= -.90312101E+02 E0= -.90319933E+02 d E =0.234966E-01