iterations/neb0_image07_iter20_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 0.366128067136E+03 0.36613E+03 -0.14268E+04 632 0.799E+02
DAV: 2 0.207454082948E+01 -0.36405E+03 -0.35218E+03 869 0.194E+02
DAV: 3 -0.957041104981E+02 -0.97779E+02 -0.97429E+02 680 0.115E+02
DAV: 4 -0.999028847778E+02 -0.41988E+01 -0.41856E+01 728 0.273E+01
DAV: 5 -0.999858056509E+02 -0.82921E-01 -0.82887E-01 736 0.346E+00 0.219E+01
DAV: 6 -0.914654430109E+02 0.85204E+01 -0.30940E+01 712 0.304E+01 0.114E+01
DAV: 7 -0.906673908216E+02 0.79805E+00 -0.16593E+00 720 0.644E+00 0.475E+00
DAV: 8 -0.903033248787E+02 0.36407E+00 -0.60584E-01 696 0.422E+00 0.167E+00
DAV: 9 -0.902192202344E+02 0.84105E-01 -0.12781E-01 709 0.163E+00 0.462E-01
DAV: 10 -0.902093571227E+02 0.98631E-02 -0.29657E-02 744 0.801E-01 0.277E-01
DAV: 11 -0.902139613542E+02 -0.46042E-02 -0.13638E-02 602 0.725E-01 0.204E-01
DAV: 12 -0.902145649858E+02 -0.60363E-03 -0.33805E-03 696 0.374E-01 0.111E-01
DAV: 13 -0.902194010705E+02 -0.48361E-02 -0.49996E-03 670 0.446E-01 0.108E-01
DAV: 14 -0.902207174826E+02 -0.13164E-02 -0.84290E-04 880 0.229E-01 0.626E-02
DAV: 15 -0.902231644859E+02 -0.24470E-02 -0.11138E-03 679 0.204E-01 0.351E-02
DAV: 16 -0.902250726380E+02 -0.19082E-02 -0.20403E-04 677 0.861E-02 0.266E-02
DAV: 17 -0.902261305609E+02 -0.10579E-02 -0.15132E-04 685 0.626E-02 0.798E-03
DAV: 18 -0.902267047737E+02 -0.57421E-03 -0.62292E-05 580 0.335E-02 0.929E-03
DAV: 19 -0.902268185012E+02 -0.11373E-03 -0.66862E-06 504 0.162E-02 0.559E-03
DAV: 20 -0.902268846204E+02 -0.66119E-04 -0.14124E-05 425 0.198E-02 0.249E-03
DAV: 21 -0.902268894230E+02 -0.48026E-05 -0.17435E-06 536 0.812E-03
1 F= -.90226889E+02 E0= -.90231794E+02 d E =0.147145E-01