iterations/neb0_image05_iter119_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 0.371662228235E+03 0.37166E+03 -0.14297E+04 632 0.799E+02
DAV: 2 0.480534793347E+01 -0.36686E+03 -0.35444E+03 869 0.194E+02
DAV: 3 -0.940020433270E+02 -0.98807E+02 -0.98424E+02 629 0.116E+02
DAV: 4 -0.988282321495E+02 -0.48262E+01 -0.48125E+01 728 0.304E+01
DAV: 5 -0.989306178624E+02 -0.10239E+00 -0.10233E+00 720 0.393E+00 0.218E+01
DAV: 6 -0.905801191898E+02 0.83505E+01 -0.28870E+01 669 0.288E+01 0.112E+01
DAV: 7 -0.897148895170E+02 0.86523E+00 -0.17759E+00 736 0.662E+00 0.469E+00
DAV: 8 -0.893249755072E+02 0.38991E+00 -0.61372E-01 712 0.445E+00 0.157E+00
DAV: 9 -0.892416248948E+02 0.83351E-01 -0.12873E-01 728 0.164E+00 0.444E-01
DAV: 10 -0.892305509915E+02 0.11074E-01 -0.49081E-02 725 0.121E+00 0.333E-01
DAV: 11 -0.892326681108E+02 -0.21171E-02 -0.98567E-03 653 0.567E-01 0.118E-01
DAV: 12 -0.892349196223E+02 -0.22515E-02 -0.35335E-03 663 0.307E-01 0.119E-01
DAV: 13 -0.892401809064E+02 -0.52613E-02 -0.16397E-03 781 0.296E-01 0.646E-02
DAV: 14 -0.892428190697E+02 -0.26382E-02 -0.87574E-04 672 0.134E-01 0.473E-02
DAV: 15 -0.892455686572E+02 -0.27496E-02 -0.51635E-04 725 0.133E-01 0.274E-02
DAV: 16 -0.892468535301E+02 -0.12849E-02 -0.14384E-04 685 0.576E-02 0.230E-02
DAV: 17 -0.892478094179E+02 -0.95589E-03 -0.13283E-04 671 0.616E-02 0.984E-03
DAV: 18 -0.892482154611E+02 -0.40604E-03 -0.52750E-05 674 0.349E-02 0.908E-03
DAV: 19 -0.892482953961E+02 -0.79935E-04 -0.97011E-06 488 0.210E-02 0.404E-03
DAV: 20 -0.892483852098E+02 -0.89814E-04 -0.19865E-05 489 0.228E-02 0.554E-03
DAV: 21 -0.892484116963E+02 -0.26486E-04 -0.38925E-06 472 0.112E-02 0.340E-03
DAV: 22 -0.892484162724E+02 -0.45761E-05 -0.29407E-06 509 0.962E-03
1 F= -.89248416E+02 E0= -.89252871E+02 d E =0.133637E-01