./iterations/neb0_image06_iter157_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 0.371009459774E+03 0.37101E+03 -0.14341E+04 640 0.799E+02
DAV: 2 0.372999543549E+01 -0.36728E+03 -0.35566E+03 874 0.193E+02
DAV: 3 -0.960227675299E+02 -0.99753E+02 -0.99421E+02 690 0.116E+02
DAV: 4 -0.100499611424E+03 -0.44768E+01 -0.44640E+01 704 0.277E+01
DAV: 5 -0.100587051197E+03 -0.87440E-01 -0.87389E-01 728 0.348E+00 0.226E+01
DAV: 6 -0.919751182990E+02 0.86119E+01 -0.30906E+01 717 0.305E+01 0.118E+01
DAV: 7 -0.911547198846E+02 0.82040E+00 -0.17460E+00 712 0.632E+00 0.481E+00
DAV: 8 -0.907767779051E+02 0.37794E+00 -0.53322E-01 728 0.402E+00 0.170E+00
DAV: 9 -0.906840112400E+02 0.92767E-01 -0.13337E-01 720 0.159E+00 0.424E-01
DAV: 10 -0.906737975769E+02 0.10214E-01 -0.35186E-02 760 0.937E-01 0.279E-01
DAV: 11 -0.906776703269E+02 -0.38727E-02 -0.84098E-03 602 0.472E-01 0.138E-01
DAV: 12 -0.906804327579E+02 -0.27624E-02 -0.17650E-03 645 0.236E-01 0.868E-02
DAV: 13 -0.906846065072E+02 -0.41737E-02 -0.15645E-03 622 0.184E-01 0.612E-02
DAV: 14 -0.906880072419E+02 -0.34007E-02 -0.96784E-04 760 0.224E-01 0.370E-02
DAV: 15 -0.906898057837E+02 -0.17985E-02 -0.28723E-04 690 0.921E-02 0.403E-02
DAV: 16 -0.906910495087E+02 -0.12437E-02 -0.37697E-04 741 0.124E-01 0.211E-02
DAV: 17 -0.906918137911E+02 -0.76428E-03 -0.12793E-04 695 0.609E-02 0.168E-02
DAV: 18 -0.906920604829E+02 -0.24669E-03 -0.32311E-05 624 0.312E-02 0.870E-03
DAV: 19 -0.906922303954E+02 -0.16991E-03 -0.26755E-05 521 0.239E-02 0.336E-03
DAV: 20 -0.906922549047E+02 -0.24509E-04 -0.21082E-06 528 0.894E-03 0.219E-03
DAV: 21 -0.906922863747E+02 -0.31470E-04 -0.45663E-06 395 0.963E-03 0.152E-03
DAV: 22 -0.906922900494E+02 -0.36747E-05 -0.67788E-07 512 0.618E-03
1 F= -.90692290E+02 E0= -.90696827E+02 d E =0.136111E-01