./iterations/neb0_image08_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 0.375251124623E+03 0.37525E+03 -0.14288E+04 624 0.799E+02
DAV: 2 0.370105054737E+01 -0.37155E+03 -0.36012E+03 877 0.196E+02
DAV: 3 -0.964427259961E+02 -0.10014E+03 -0.99791E+02 648 0.117E+02
DAV: 4 -0.101248439597E+03 -0.48057E+01 -0.47946E+01 704 0.299E+01
DAV: 5 -0.101343612857E+03 -0.95173E-01 -0.95134E-01 728 0.381E+00 0.228E+01
DAV: 6 -0.926551936022E+02 0.86884E+01 -0.30862E+01 714 0.300E+01 0.119E+01
DAV: 7 -0.917836165525E+02 0.87158E+00 -0.17103E+00 728 0.613E+00 0.480E+00
DAV: 8 -0.914100362307E+02 0.37358E+00 -0.53906E-01 728 0.397E+00 0.163E+00
DAV: 9 -0.913282242167E+02 0.81812E-01 -0.12980E-01 736 0.154E+00 0.421E-01
DAV: 10 -0.913197015255E+02 0.85227E-02 -0.44689E-02 773 0.107E+00 0.303E-01
DAV: 11 -0.913246241138E+02 -0.49226E-02 -0.14387E-02 608 0.623E-01 0.158E-01
DAV: 12 -0.913273746064E+02 -0.27505E-02 -0.28642E-03 626 0.240E-01 0.104E-01
DAV: 13 -0.913313005746E+02 -0.39260E-02 -0.25274E-03 639 0.253E-01 0.571E-02
DAV: 14 -0.913347812722E+02 -0.34807E-02 -0.10875E-03 669 0.198E-01 0.349E-02
DAV: 15 -0.913360213573E+02 -0.12401E-02 -0.21043E-04 696 0.808E-02 0.229E-02
DAV: 16 -0.913368532171E+02 -0.83186E-03 -0.14042E-04 709 0.735E-02 0.111E-02
DAV: 17 -0.913374753788E+02 -0.62216E-03 -0.72071E-05 650 0.358E-02 0.126E-02
DAV: 18 -0.913376103945E+02 -0.13502E-03 -0.87616E-06 496 0.192E-02 0.717E-03
DAV: 19 -0.913377614552E+02 -0.15106E-03 -0.44165E-05 609 0.352E-02 0.702E-03
DAV: 20 -0.913377683643E+02 -0.69091E-05 -0.38912E-06 528 0.176E-02
1 F= -.91337768E+02 E0= -.91342442E+02 d E =0.140217E-01