iterations/neb0_image04_iter242_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 0.366788389508E+03 0.36679E+03 -0.14292E+04 624 0.799E+02
DAV: 2 0.107473440028E+01 -0.36571E+03 -0.35450E+03 869 0.195E+02
DAV: 3 -0.961016676551E+02 -0.97176E+02 -0.96889E+02 672 0.116E+02
DAV: 4 -0.100274324944E+03 -0.41727E+01 -0.41636E+01 704 0.273E+01
DAV: 5 -0.100356181003E+03 -0.81856E-01 -0.81827E-01 736 0.341E+00 0.223E+01
DAV: 6 -0.916693041988E+02 0.86869E+01 -0.31257E+01 690 0.299E+01 0.117E+01
DAV: 7 -0.908207328744E+02 0.84857E+00 -0.18082E+00 712 0.657E+00 0.485E+00
DAV: 8 -0.904130891927E+02 0.40764E+00 -0.54833E-01 704 0.456E+00 0.180E+00
DAV: 9 -0.903230770823E+02 0.90012E-01 -0.14542E-01 728 0.225E+00 0.622E-01
DAV: 10 -0.903047530262E+02 0.18324E-01 -0.42765E-02 720 0.107E+00 0.368E-01
DAV: 11 -0.903067850909E+02 -0.20321E-02 -0.16440E-02 728 0.698E-01 0.304E-01
DAV: 12 -0.903087362653E+02 -0.19512E-02 -0.41435E-03 677 0.609E-01 0.155E-01
DAV: 13 -0.903121004710E+02 -0.33642E-02 -0.34656E-03 625 0.391E-01 0.108E-01
DAV: 14 -0.903156521788E+02 -0.35517E-02 -0.15904E-03 626 0.226E-01 0.538E-02
DAV: 15 -0.903185744629E+02 -0.29223E-02 -0.84320E-04 653 0.145E-01 0.562E-02
DAV: 16 -0.903207672995E+02 -0.21928E-02 -0.55248E-04 808 0.198E-01 0.463E-02
DAV: 17 -0.903219795131E+02 -0.12122E-02 -0.27881E-04 658 0.819E-02 0.375E-02
DAV: 18 -0.903224542394E+02 -0.47473E-03 -0.13185E-04 752 0.844E-02 0.162E-02
DAV: 19 -0.903227073574E+02 -0.25312E-03 -0.78612E-05 649 0.511E-02 0.139E-02
DAV: 20 -0.903228189395E+02 -0.11158E-03 -0.10183E-05 480 0.213E-02 0.112E-02
DAV: 21 -0.903229333323E+02 -0.11439E-03 -0.42118E-05 612 0.364E-02 0.789E-03
DAV: 22 -0.903229484202E+02 -0.15088E-04 -0.35776E-06 520 0.158E-02 0.473E-03
DAV: 23 -0.903229600795E+02 -0.11659E-04 -0.78599E-06 412 0.158E-02 0.248E-03
DAV: 24 -0.903229653913E+02 -0.53118E-05 -0.11574E-06 480 0.821E-03
1 F= -.90322965E+02 E0= -.90331008E+02 d E =0.241284E-01