iterations/neb0_image06_iter288_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 0.375795339962E+03 0.37580E+03 -0.14333E+04 632 0.799E+02
DAV: 2 0.580688393652E+01 -0.36999E+03 -0.35747E+03 861 0.195E+02
DAV: 3 -0.942393036808E+02 -0.10005E+03 -0.99637E+02 648 0.116E+02
DAV: 4 -0.990681007059E+02 -0.48288E+01 -0.48098E+01 720 0.298E+01
DAV: 5 -0.991663932197E+02 -0.98293E-01 -0.98238E-01 720 0.383E+00 0.223E+01
DAV: 6 -0.907586293314E+02 0.84078E+01 -0.29652E+01 704 0.302E+01 0.116E+01
DAV: 7 -0.899156965561E+02 0.84293E+00 -0.16732E+00 712 0.636E+00 0.482E+00
DAV: 8 -0.895220896782E+02 0.39361E+00 -0.59130E-01 704 0.425E+00 0.159E+00
DAV: 9 -0.894338682496E+02 0.88221E-01 -0.12504E-01 712 0.161E+00 0.438E-01
DAV: 10 -0.894233119960E+02 0.10556E-01 -0.40275E-02 712 0.996E-01 0.304E-01
DAV: 11 -0.894270955662E+02 -0.37836E-02 -0.11144E-02 608 0.596E-01 0.166E-01
DAV: 12 -0.894286570503E+02 -0.15615E-02 -0.29450E-03 680 0.331E-01 0.926E-02
DAV: 13 -0.894332825788E+02 -0.46255E-02 -0.26092E-03 606 0.257E-01 0.800E-02
DAV: 14 -0.894354937776E+02 -0.22112E-02 -0.59073E-04 920 0.205E-01 0.349E-02
DAV: 15 -0.894386660285E+02 -0.31723E-02 -0.58733E-04 623 0.121E-01 0.336E-02
DAV: 16 -0.894404416057E+02 -0.17756E-02 -0.17537E-04 693 0.809E-02 0.166E-02
DAV: 17 -0.894416109417E+02 -0.11693E-02 -0.26316E-04 677 0.817E-02 0.214E-02
DAV: 18 -0.894418536852E+02 -0.24274E-03 -0.48063E-05 648 0.559E-02 0.675E-03
DAV: 19 -0.894419401168E+02 -0.86432E-04 -0.22754E-05 520 0.255E-02 0.364E-03
DAV: 20 -0.894420219757E+02 -0.81859E-04 -0.83724E-06 431 0.137E-02 0.283E-03
DAV: 21 -0.894420513573E+02 -0.29382E-04 -0.38974E-06 464 0.109E-02 0.175E-03
DAV: 22 -0.894420608723E+02 -0.95150E-05 -0.17110E-06 448 0.731E-03
1 F= -.89442061E+02 E0= -.89448197E+02 d E =0.184088E-01