./iterations/neb0_image04_iter259_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 0.367126102381E+03 0.36713E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.931012907438E+00 -0.36620E+03 -0.35496E+03 855 0.195E+02
DAV: 3 -0.960792570463E+02 -0.97010E+02 -0.96721E+02 664 0.116E+02
DAV: 4 -0.100338084932E+03 -0.42588E+01 -0.42493E+01 696 0.277E+01
DAV: 5 -0.100421577254E+03 -0.83492E-01 -0.83463E-01 728 0.346E+00 0.224E+01
DAV: 6 -0.916945817617E+02 0.87270E+01 -0.31247E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908364708532E+02 0.85811E+00 -0.18229E+00 704 0.656E+00 0.485E+00
DAV: 8 -0.904258263879E+02 0.41064E+00 -0.55039E-01 704 0.457E+00 0.179E+00
DAV: 9 -0.903343847472E+02 0.91442E-01 -0.14993E-01 720 0.218E+00 0.591E-01
DAV: 10 -0.903185967192E+02 0.15788E-01 -0.40418E-02 712 0.105E+00 0.358E-01
DAV: 11 -0.903203772961E+02 -0.17806E-02 -0.13603E-02 712 0.613E-01 0.251E-01
DAV: 12 -0.903229743688E+02 -0.25971E-02 -0.31256E-03 688 0.505E-01 0.140E-01
DAV: 13 -0.903263578808E+02 -0.33835E-02 -0.30449E-03 620 0.368E-01 0.111E-01
DAV: 14 -0.903297896653E+02 -0.34318E-02 -0.17056E-03 695 0.263E-01 0.475E-02
DAV: 15 -0.903324839114E+02 -0.26942E-02 -0.71566E-04 664 0.125E-01 0.479E-02
DAV: 16 -0.903345281600E+02 -0.20442E-02 -0.48255E-04 856 0.168E-01 0.299E-02
DAV: 17 -0.903358667931E+02 -0.13386E-02 -0.25571E-04 649 0.757E-02 0.340E-02
DAV: 18 -0.903363615128E+02 -0.49472E-03 -0.85399E-05 792 0.683E-02 0.163E-02
DAV: 19 -0.903366698902E+02 -0.30838E-03 -0.12737E-04 649 0.667E-02 0.148E-02
DAV: 20 -0.903367673494E+02 -0.97459E-04 -0.10990E-05 480 0.250E-02 0.105E-02
DAV: 21 -0.903368338147E+02 -0.66465E-04 -0.27793E-05 575 0.294E-02 0.330E-03
DAV: 22 -0.903368761515E+02 -0.42337E-04 -0.51131E-06 439 0.157E-02 0.184E-03
DAV: 23 -0.903368813917E+02 -0.52402E-05 -0.18379E-06 520 0.623E-03
1 F= -.90336881E+02 E0= -.90345156E+02 d E =0.248242E-01