./iterations/neb0_image08_iter298_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 0.374852217289E+03 0.37485E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.426027738188E+01 -0.37059E+03 -0.35918E+03 869 0.195E+02
DAV: 3 -0.964440777544E+02 -0.10070E+03 -0.10037E+03 656 0.117E+02
DAV: 4 -0.101229690854E+03 -0.47856E+01 -0.47746E+01 704 0.297E+01
DAV: 5 -0.101324280036E+03 -0.94589E-01 -0.94550E-01 736 0.378E+00 0.227E+01
DAV: 6 -0.926420245923E+02 0.86823E+01 -0.30973E+01 717 0.302E+01 0.119E+01
DAV: 7 -0.917795437871E+02 0.86248E+00 -0.17143E+00 728 0.615E+00 0.479E+00
DAV: 8 -0.914062385220E+02 0.37331E+00 -0.53034E-01 728 0.393E+00 0.164E+00
DAV: 9 -0.913224658591E+02 0.83773E-01 -0.13025E-01 736 0.153E+00 0.423E-01
DAV: 10 -0.913135076413E+02 0.89582E-02 -0.45485E-02 757 0.109E+00 0.303E-01
DAV: 11 -0.913185484667E+02 -0.50408E-02 -0.14570E-02 608 0.628E-01 0.160E-01
DAV: 12 -0.913212319191E+02 -0.26835E-02 -0.27829E-03 628 0.233E-01 0.114E-01
DAV: 13 -0.913252878555E+02 -0.40559E-02 -0.31176E-03 639 0.288E-01 0.625E-02
DAV: 14 -0.913282667811E+02 -0.29789E-02 -0.85330E-04 688 0.175E-01 0.247E-02
DAV: 15 -0.913301174366E+02 -0.18507E-02 -0.22360E-04 642 0.687E-02 0.200E-02
DAV: 16 -0.913310076588E+02 -0.89022E-03 -0.10771E-04 677 0.639E-02 0.119E-02
DAV: 17 -0.913315410942E+02 -0.53344E-03 -0.73974E-05 640 0.373E-02 0.111E-02
DAV: 18 -0.913316396280E+02 -0.98534E-04 -0.10387E-05 520 0.270E-02 0.456E-03
DAV: 19 -0.913317686471E+02 -0.12902E-03 -0.31542E-05 529 0.273E-02 0.677E-03
DAV: 20 -0.913317769781E+02 -0.83310E-05 -0.19308E-06 520 0.127E-02
1 F= -.91331777E+02 E0= -.91336478E+02 d E =0.141032E-01