./iterations/neb0_image07_iter112_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 0.377823066247E+03 0.37782E+03 -0.14286E+04 624 0.799E+02
DAV: 2 0.345448344143E+01 -0.37437E+03 -0.36222E+03 877 0.196E+02
DAV: 3 -0.964343838609E+02 -0.99889E+02 -0.99549E+02 656 0.117E+02
DAV: 4 -0.101039339297E+03 -0.46050E+01 -0.45938E+01 696 0.290E+01
DAV: 5 -0.101131389243E+03 -0.92050E-01 -0.92012E-01 728 0.370E+00 0.228E+01
DAV: 6 -0.924577120969E+02 0.86737E+01 -0.30696E+01 701 0.303E+01 0.120E+01
DAV: 7 -0.915783188726E+02 0.87939E+00 -0.16873E+00 736 0.614E+00 0.482E+00
DAV: 8 -0.911962913746E+02 0.38203E+00 -0.55401E-01 704 0.401E+00 0.164E+00
DAV: 9 -0.911122788921E+02 0.84012E-01 -0.13330E-01 720 0.156E+00 0.426E-01
DAV: 10 -0.911030822247E+02 0.91967E-02 -0.47792E-02 749 0.113E+00 0.310E-01
DAV: 11 -0.911075287798E+02 -0.44466E-02 -0.12476E-02 616 0.589E-01 0.134E-01
DAV: 12 -0.911107534625E+02 -0.32247E-02 -0.35416E-03 619 0.272E-01 0.145E-01
DAV: 13 -0.911146155686E+02 -0.38621E-02 -0.27070E-03 725 0.319E-01 0.559E-02
DAV: 14 -0.911171722800E+02 -0.25567E-02 -0.59075E-04 650 0.113E-01 0.587E-02
DAV: 15 -0.911197616035E+02 -0.25893E-02 -0.32368E-04 637 0.910E-02 0.333E-02
DAV: 16 -0.911207403824E+02 -0.97878E-03 -0.40636E-04 688 0.100E-01 0.315E-02
DAV: 17 -0.911211973000E+02 -0.45692E-03 -0.13034E-04 640 0.732E-02 0.103E-02
DAV: 18 -0.911213594208E+02 -0.16212E-03 -0.24122E-05 576 0.269E-02 0.725E-03
DAV: 19 -0.911214382665E+02 -0.78846E-04 -0.14098E-05 440 0.219E-02 0.214E-03
DAV: 20 -0.911214818665E+02 -0.43600E-04 -0.54523E-06 450 0.102E-02 0.226E-03
DAV: 21 -0.911214915566E+02 -0.96901E-05 -0.11965E-06 496 0.521E-03
1 F= -.91121492E+02 E0= -.91126633E+02 d E =0.154230E-01