iterations/neb0_image08_iter207_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 0.373136624393E+03 0.37314E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.347120839828E+01 -0.36967E+03 -0.35727E+03 869 0.196E+02
DAV: 3 -0.966238666156E+02 -0.10010E+03 -0.99784E+02 664 0.116E+02
DAV: 4 -0.101221333267E+03 -0.45975E+01 -0.45841E+01 712 0.288E+01
DAV: 5 -0.101311877566E+03 -0.90544E-01 -0.90487E-01 728 0.366E+00 0.226E+01
DAV: 6 -0.926449347976E+02 0.86669E+01 -0.31070E+01 717 0.301E+01 0.118E+01
DAV: 7 -0.917882361865E+02 0.85670E+00 -0.17305E+00 720 0.614E+00 0.478E+00
DAV: 8 -0.914142720857E+02 0.37396E+00 -0.53812E-01 720 0.394E+00 0.162E+00
DAV: 9 -0.913338751372E+02 0.80397E-01 -0.13192E-01 728 0.155E+00 0.419E-01
DAV: 10 -0.913260555522E+02 0.78196E-02 -0.45306E-02 752 0.109E+00 0.303E-01
DAV: 11 -0.913310224432E+02 -0.49669E-02 -0.14575E-02 616 0.630E-01 0.155E-01
DAV: 12 -0.913337432651E+02 -0.27208E-02 -0.27676E-03 628 0.241E-01 0.108E-01
DAV: 13 -0.913373241362E+02 -0.35809E-02 -0.22579E-03 631 0.244E-01 0.501E-02
DAV: 14 -0.913406638710E+02 -0.33397E-02 -0.96180E-04 661 0.196E-01 0.361E-02
DAV: 15 -0.913418000683E+02 -0.11362E-02 -0.24593E-04 688 0.931E-02 0.265E-02
DAV: 16 -0.913426224024E+02 -0.82233E-03 -0.15104E-04 664 0.763E-02 0.992E-03
DAV: 17 -0.913434025889E+02 -0.78019E-03 -0.80832E-05 642 0.386E-02 0.141E-02
DAV: 18 -0.913436101738E+02 -0.20758E-03 -0.18055E-05 552 0.258E-02 0.757E-03
DAV: 19 -0.913437357704E+02 -0.12560E-03 -0.42078E-05 615 0.350E-02 0.780E-03
DAV: 20 -0.913437483496E+02 -0.12579E-04 -0.63012E-06 528 0.253E-02 0.242E-03
DAV: 21 -0.913437550263E+02 -0.66767E-05 -0.44297E-06 418 0.106E-02
1 F= -.91343755E+02 E0= -.91348652E+02 d E =0.146906E-01