./iterations/neb0_image03_iter109_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 0.367103952095E+03 0.36710E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.339630243116E+01 -0.36371E+03 -0.35033E+03 837 0.195E+02
DAV: 3 -0.955910364325E+02 -0.98987E+02 -0.98670E+02 664 0.116E+02
DAV: 4 -0.100191303479E+03 -0.46003E+01 -0.45906E+01 712 0.288E+01
DAV: 5 -0.100282846471E+03 -0.91543E-01 -0.91505E-01 736 0.362E+00 0.223E+01
DAV: 6 -0.916810111510E+02 0.86018E+01 -0.30628E+01 685 0.296E+01 0.116E+01
DAV: 7 -0.908310145455E+02 0.85000E+00 -0.18306E+00 704 0.641E+00 0.483E+00
DAV: 8 -0.904270521485E+02 0.40396E+00 -0.57163E-01 688 0.437E+00 0.166E+00
DAV: 9 -0.903323239973E+02 0.94728E-01 -0.13181E-01 704 0.184E+00 0.459E-01
DAV: 10 -0.903238116064E+02 0.85124E-02 -0.38565E-02 728 0.101E+00 0.335E-01
DAV: 11 -0.903264541075E+02 -0.26425E-02 -0.71199E-03 736 0.595E-01 0.141E-01
DAV: 12 -0.903284812537E+02 -0.20271E-02 -0.33393E-03 626 0.334E-01 0.112E-01
DAV: 13 -0.903333263712E+02 -0.48451E-02 -0.29752E-03 640 0.307E-01 0.832E-02
DAV: 14 -0.903375844316E+02 -0.42581E-02 -0.99458E-04 653 0.178E-01 0.447E-02
DAV: 15 -0.903394317685E+02 -0.18473E-02 -0.34914E-04 704 0.101E-01 0.245E-02
DAV: 16 -0.903410472435E+02 -0.16155E-02 -0.13876E-04 669 0.624E-02 0.113E-02
DAV: 17 -0.903420316967E+02 -0.98445E-03 -0.10004E-04 600 0.378E-02 0.730E-03
DAV: 18 -0.903422988695E+02 -0.26717E-03 -0.27144E-05 584 0.235E-02 0.460E-03
DAV: 19 -0.903423958661E+02 -0.96997E-04 -0.63491E-06 442 0.123E-02 0.190E-03
DAV: 20 -0.903424483228E+02 -0.52457E-04 -0.71598E-06 453 0.942E-03 0.174E-03
DAV: 21 -0.903424606463E+02 -0.12324E-04 -0.16322E-06 488 0.582E-03 0.585E-04
DAV: 22 -0.903424664483E+02 -0.58019E-05 -0.11809E-06 415 0.425E-03
1 F= -.90342466E+02 E0= -.90351015E+02 d E =0.256471E-01