./iterations/neb0_image05_iter89_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 0.373668254256E+03 0.37367E+03 -0.14310E+04 632 0.799E+02
DAV: 2 0.344076241076E+01 -0.37023E+03 -0.35789E+03 885 0.195E+02
DAV: 3 -0.941873703023E+02 -0.97628E+02 -0.97284E+02 637 0.116E+02
DAV: 4 -0.987381736314E+02 -0.45508E+01 -0.45400E+01 701 0.296E+01
DAV: 5 -0.988371901321E+02 -0.99017E-01 -0.98971E-01 728 0.385E+00 0.219E+01
DAV: 6 -0.905195271911E+02 0.83177E+01 -0.28662E+01 698 0.288E+01 0.112E+01
DAV: 7 -0.896425352632E+02 0.87699E+00 -0.17995E+00 712 0.675E+00 0.468E+00
DAV: 8 -0.892516852187E+02 0.39085E+00 -0.62370E-01 712 0.450E+00 0.155E+00
DAV: 9 -0.891687880662E+02 0.82897E-01 -0.12296E-01 728 0.164E+00 0.446E-01
DAV: 10 -0.891564941359E+02 0.12294E-01 -0.50314E-02 720 0.122E+00 0.340E-01
DAV: 11 -0.891578790580E+02 -0.13849E-02 -0.10351E-02 637 0.585E-01 0.117E-01
DAV: 12 -0.891601275774E+02 -0.22485E-02 -0.35665E-03 680 0.314E-01 0.126E-01
DAV: 13 -0.891659414306E+02 -0.58139E-02 -0.23330E-03 770 0.347E-01 0.696E-02
DAV: 14 -0.891683533548E+02 -0.24119E-02 -0.80234E-04 672 0.137E-01 0.536E-02
DAV: 15 -0.891711540535E+02 -0.28007E-02 -0.73627E-04 714 0.159E-01 0.332E-02
DAV: 16 -0.891722882625E+02 -0.11342E-02 -0.12810E-04 696 0.591E-02 0.240E-02
DAV: 17 -0.891734943677E+02 -0.12061E-02 -0.17566E-04 617 0.616E-02 0.122E-02
DAV: 18 -0.891738896409E+02 -0.39527E-03 -0.58446E-05 688 0.358E-02 0.100E-02
DAV: 19 -0.891739875723E+02 -0.97931E-04 -0.10046E-05 472 0.244E-02 0.439E-03
DAV: 20 -0.891740980705E+02 -0.11050E-03 -0.33574E-05 502 0.299E-02 0.881E-03
DAV: 21 -0.891741146350E+02 -0.16564E-04 -0.44513E-06 488 0.170E-02 0.453E-03
DAV: 22 -0.891741220093E+02 -0.73743E-05 -0.79770E-06 429 0.161E-02
1 F= -.89174122E+02 E0= -.89178218E+02 d E =0.122889E-01