iterations/neb0_image01_iter290_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 0.363425115817E+03 0.36343E+03 -0.14333E+04 632 0.799E+02
DAV: 2 0.312615754012E+01 -0.36030E+03 -0.34800E+03 828 0.195E+02
DAV: 3 -0.955854988628E+02 -0.98712E+02 -0.98372E+02 653 0.115E+02
DAV: 4 -0.100251944177E+03 -0.46664E+01 -0.46538E+01 704 0.291E+01
DAV: 5 -0.100340990499E+03 -0.89046E-01 -0.89004E-01 728 0.367E+00 0.223E+01
DAV: 6 -0.917085167803E+02 0.86325E+01 -0.30920E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908930005235E+02 0.81552E+00 -0.18515E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.905131756377E+02 0.37982E+00 -0.55375E-01 704 0.430E+00 0.169E+00
DAV: 9 -0.904269542269E+02 0.86221E-01 -0.13648E-01 712 0.165E+00 0.428E-01
DAV: 10 -0.904216011767E+02 0.53531E-02 -0.46532E-02 701 0.126E+00 0.319E-01
DAV: 11 -0.904253039669E+02 -0.37028E-02 -0.67888E-03 608 0.498E-01 0.141E-01
DAV: 12 -0.904288338682E+02 -0.35299E-02 -0.75852E-03 620 0.497E-01 0.135E-01
DAV: 13 -0.904314242385E+02 -0.25904E-02 -0.18100E-03 896 0.335E-01 0.765E-02
DAV: 14 -0.904345529987E+02 -0.31288E-02 -0.13265E-03 639 0.171E-01 0.602E-02
DAV: 15 -0.904365740257E+02 -0.20210E-02 -0.35053E-04 680 0.107E-01 0.461E-02
DAV: 16 -0.904381971738E+02 -0.16231E-02 -0.92562E-04 650 0.179E-01 0.392E-02
DAV: 17 -0.904388953394E+02 -0.69817E-03 -0.15637E-04 760 0.912E-02 0.249E-02
DAV: 18 -0.904391114829E+02 -0.21614E-03 -0.84971E-05 669 0.451E-02 0.978E-03
DAV: 19 -0.904392942363E+02 -0.18275E-03 -0.35291E-05 535 0.293E-02 0.497E-03
DAV: 20 -0.904393269400E+02 -0.32704E-04 -0.50135E-06 488 0.149E-02 0.670E-03
DAV: 21 -0.904393673117E+02 -0.40372E-04 -0.72575E-06 428 0.157E-02 0.507E-03
DAV: 22 -0.904393794989E+02 -0.12187E-04 -0.42544E-06 480 0.141E-02 0.231E-03
DAV: 23 -0.904393811665E+02 -0.16677E-05 -0.27785E-06 536 0.982E-03
1 F= -.90439381E+02 E0= -.90444933E+02 d E =0.166568E-01