./iterations/neb0_image04_iter209_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 0.365336050863E+03 0.36534E+03 -0.14327E+04 632 0.799E+02
DAV: 2 0.988400521675E+00 -0.36435E+03 -0.35270E+03 869 0.194E+02
DAV: 3 -0.959124276785E+02 -0.96901E+02 -0.96599E+02 648 0.115E+02
DAV: 4 -0.100292863381E+03 -0.43804E+01 -0.43713E+01 728 0.286E+01
DAV: 5 -0.100377472511E+03 -0.84609E-01 -0.84583E-01 728 0.359E+00 0.223E+01
DAV: 6 -0.916640175186E+02 0.87135E+01 -0.31177E+01 685 0.298E+01 0.117E+01
DAV: 7 -0.908039434507E+02 0.86007E+00 -0.17803E+00 712 0.644E+00 0.483E+00
DAV: 8 -0.903897603789E+02 0.41418E+00 -0.54916E-01 704 0.437E+00 0.171E+00
DAV: 9 -0.902963206419E+02 0.93440E-01 -0.15774E-01 720 0.185E+00 0.498E-01
DAV: 10 -0.902863815560E+02 0.99391E-02 -0.38119E-02 712 0.111E+00 0.335E-01
DAV: 11 -0.902885887513E+02 -0.22072E-02 -0.56270E-03 688 0.472E-01 0.166E-01
DAV: 12 -0.902913480538E+02 -0.27593E-02 -0.30716E-03 637 0.374E-01 0.120E-01
DAV: 13 -0.902946314995E+02 -0.32834E-02 -0.14643E-03 615 0.258E-01 0.920E-02
DAV: 14 -0.902991018581E+02 -0.44704E-02 -0.18608E-03 620 0.247E-01 0.499E-02
DAV: 15 -0.903004277860E+02 -0.13259E-02 -0.24904E-04 704 0.990E-02 0.387E-02
DAV: 16 -0.903032235073E+02 -0.27957E-02 -0.96696E-04 729 0.200E-01 0.450E-02
DAV: 17 -0.903035751704E+02 -0.35166E-03 -0.13341E-04 736 0.859E-02 0.317E-02
DAV: 18 -0.903042330896E+02 -0.65792E-03 -0.23313E-04 716 0.871E-02 0.128E-02
DAV: 19 -0.903047255013E+02 -0.49241E-03 -0.79351E-05 666 0.475E-02 0.116E-02
DAV: 20 -0.903048414459E+02 -0.11594E-03 -0.94128E-06 496 0.178E-02 0.757E-03
DAV: 21 -0.903049358466E+02 -0.94401E-04 -0.30628E-05 543 0.306E-02 0.612E-03
DAV: 22 -0.903049681095E+02 -0.32263E-04 -0.46417E-06 472 0.154E-02 0.269E-03
DAV: 23 -0.903049794577E+02 -0.11348E-04 -0.38516E-06 463 0.101E-02 0.170E-03
DAV: 24 -0.903049829417E+02 -0.34840E-05 -0.93790E-07 448 0.457E-03
1 F= -.90304983E+02 E0= -.90313393E+02 d E =0.252312E-01