./iterations/neb0_image06_iter274_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 0.372489022024E+03 0.37249E+03 -0.14307E+04 632 0.799E+02
DAV: 2 0.597908095659E+01 -0.36651E+03 -0.35436E+03 842 0.194E+02
DAV: 3 -0.946776457591E+02 -0.10066E+03 -0.10023E+03 696 0.116E+02
DAV: 4 -0.992290094889E+02 -0.45514E+01 -0.45339E+01 712 0.279E+01
DAV: 5 -0.993218834214E+02 -0.92874E-01 -0.92829E-01 728 0.355E+00 0.221E+01
DAV: 6 -0.909614878519E+02 0.83604E+01 -0.29730E+01 696 0.303E+01 0.115E+01
DAV: 7 -0.901592911114E+02 0.80220E+00 -0.16466E+00 720 0.629E+00 0.479E+00
DAV: 8 -0.897829227676E+02 0.37637E+00 -0.57289E-01 712 0.418E+00 0.161E+00
DAV: 9 -0.896960731808E+02 0.86850E-01 -0.12264E-01 704 0.164E+00 0.437E-01
DAV: 10 -0.896863449595E+02 0.97282E-02 -0.35706E-02 736 0.921E-01 0.299E-01
DAV: 11 -0.896903641601E+02 -0.40192E-02 -0.14439E-02 608 0.694E-01 0.201E-01
DAV: 12 -0.896908634005E+02 -0.49924E-03 -0.42190E-03 704 0.416E-01 0.106E-01
DAV: 13 -0.896957726367E+02 -0.49092E-02 -0.43720E-03 601 0.383E-01 0.107E-01
DAV: 14 -0.896972693812E+02 -0.14967E-02 -0.60944E-04 760 0.190E-01 0.577E-02
DAV: 15 -0.897005900898E+02 -0.33207E-02 -0.15543E-03 638 0.235E-01 0.503E-02
DAV: 16 -0.897023664527E+02 -0.17764E-02 -0.33439E-04 773 0.137E-01 0.220E-02
DAV: 17 -0.897033864000E+02 -0.10199E-02 -0.21834E-04 680 0.705E-02 0.143E-02
DAV: 18 -0.897039677023E+02 -0.58130E-03 -0.68112E-05 580 0.379E-02 0.138E-02
DAV: 19 -0.897040458648E+02 -0.78162E-04 -0.11037E-05 512 0.276E-02 0.736E-03
DAV: 20 -0.897041156518E+02 -0.69787E-04 -0.28614E-05 557 0.300E-02 0.579E-03
DAV: 21 -0.897041606870E+02 -0.45035E-04 -0.45674E-06 458 0.137E-02 0.329E-03
DAV: 22 -0.897041776320E+02 -0.16945E-04 -0.30110E-06 431 0.741E-03 0.177E-03
DAV: 23 -0.897041830474E+02 -0.54154E-05 -0.13900E-06 455 0.575E-03
1 F= -.89704183E+02 E0= -.89708931E+02 d E =0.142439E-01