./iterations/neb0_image05_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 0.367958767755E+03 0.36796E+03 -0.14303E+04 624 0.799E+02
DAV: 2 0.349722654839E+01 -0.36446E+03 -0.34967E+03 853 0.195E+02
DAV: 3 -0.956062014154E+02 -0.99103E+02 -0.98759E+02 680 0.116E+02
DAV: 4 -0.100097485565E+03 -0.44913E+01 -0.44800E+01 696 0.281E+01
DAV: 5 -0.100185301178E+03 -0.87816E-01 -0.87775E-01 736 0.351E+00 0.222E+01
DAV: 6 -0.915874413854E+02 0.85979E+01 -0.31114E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.907621417911E+02 0.82530E+00 -0.17469E+00 728 0.626E+00 0.482E+00
DAV: 8 -0.903835285268E+02 0.37861E+00 -0.55177E-01 728 0.426E+00 0.165E+00
DAV: 9 -0.902980651984E+02 0.85463E-01 -0.12836E-01 712 0.164E+00 0.438E-01
DAV: 10 -0.902888560987E+02 0.92091E-02 -0.41306E-02 720 0.120E+00 0.321E-01
DAV: 11 -0.902910716306E+02 -0.22155E-02 -0.49193E-03 608 0.428E-01 0.175E-01
DAV: 12 -0.902942717758E+02 -0.32001E-02 -0.87477E-03 610 0.534E-01 0.146E-01
DAV: 13 -0.902962853366E+02 -0.20136E-02 -0.13295E-03 752 0.258E-01 0.877E-02
DAV: 14 -0.903006818726E+02 -0.43965E-02 -0.24801E-03 628 0.279E-01 0.689E-02
DAV: 15 -0.903023043602E+02 -0.16225E-02 -0.25471E-04 712 0.109E-01 0.545E-02
DAV: 16 -0.903047783705E+02 -0.24740E-02 -0.92323E-04 681 0.187E-01 0.348E-02
DAV: 17 -0.903055990924E+02 -0.82072E-03 -0.17886E-04 696 0.812E-02 0.273E-02
DAV: 18 -0.903060487846E+02 -0.44969E-03 -0.91184E-05 664 0.527E-02 0.153E-02
DAV: 19 -0.903063935803E+02 -0.34480E-03 -0.88188E-05 665 0.507E-02 0.106E-02
DAV: 20 -0.903064790059E+02 -0.85426E-04 -0.79260E-06 496 0.184E-02 0.895E-03
DAV: 21 -0.903065453065E+02 -0.66301E-04 -0.25107E-05 467 0.298E-02 0.411E-03
DAV: 22 -0.903065489659E+02 -0.36593E-05 -0.35513E-06 536 0.112E-02
1 F= -.90306549E+02 E0= -.90314897E+02 d E =0.250436E-01