iterations/neb0_image01_iter94_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 0.366451865397E+03 0.36645E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.342127740473E+01 -0.36303E+03 -0.34967E+03 839 0.195E+02
DAV: 3 -0.957680980932E+02 -0.99189E+02 -0.98849E+02 688 0.116E+02
DAV: 4 -0.100190455926E+03 -0.44224E+01 -0.44132E+01 685 0.279E+01
DAV: 5 -0.100278281586E+03 -0.87826E-01 -0.87773E-01 744 0.350E+00 0.222E+01
DAV: 6 -0.916792569678E+02 0.85990E+01 -0.31101E+01 693 0.299E+01 0.117E+01
DAV: 7 -0.908670537200E+02 0.81220E+00 -0.18161E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904867345517E+02 0.38032E+00 -0.55975E-01 712 0.428E+00 0.167E+00
DAV: 9 -0.904023911082E+02 0.84343E-01 -0.13560E-01 704 0.164E+00 0.428E-01
DAV: 10 -0.903970078645E+02 0.53832E-02 -0.45332E-02 720 0.125E+00 0.315E-01
DAV: 11 -0.904008724025E+02 -0.38645E-02 -0.66655E-03 616 0.475E-01 0.143E-01
DAV: 12 -0.904044128472E+02 -0.35404E-02 -0.68860E-03 613 0.484E-01 0.126E-01
DAV: 13 -0.904071250514E+02 -0.27122E-02 -0.13319E-03 832 0.303E-01 0.767E-02
DAV: 14 -0.904100675411E+02 -0.29425E-02 -0.14919E-03 626 0.184E-01 0.585E-02
DAV: 15 -0.904122075307E+02 -0.21400E-02 -0.40976E-04 696 0.127E-01 0.451E-02
DAV: 16 -0.904134482065E+02 -0.12407E-02 -0.68441E-04 653 0.151E-01 0.342E-02
DAV: 17 -0.904143218902E+02 -0.87368E-03 -0.19899E-04 861 0.987E-02 0.194E-02
DAV: 18 -0.904144625970E+02 -0.14071E-03 -0.35010E-05 696 0.309E-02 0.142E-02
DAV: 19 -0.904147215649E+02 -0.25897E-03 -0.61925E-05 633 0.410E-02 0.520E-03
DAV: 20 -0.904147482415E+02 -0.26677E-04 -0.47836E-06 480 0.127E-02 0.551E-03
DAV: 21 -0.904147896633E+02 -0.41422E-04 -0.52862E-06 403 0.135E-02 0.324E-03
DAV: 22 -0.904148064276E+02 -0.16764E-04 -0.38840E-06 477 0.969E-03 0.233E-03
DAV: 23 -0.904148091905E+02 -0.27629E-05 -0.12563E-06 520 0.633E-03
1 F= -.90414809E+02 E0= -.90419926E+02 d E =0.153511E-01