./iterations/neb0_image07_iter127_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 0.375508678459E+03 0.37551E+03 -0.14274E+04 624 0.799E+02
DAV: 2 0.329546638643E+01 -0.37221E+03 -0.35958E+03 877 0.195E+02
DAV: 3 -0.963691450245E+02 -0.99665E+02 -0.99339E+02 661 0.117E+02
DAV: 4 -0.100975790419E+03 -0.46066E+01 -0.45943E+01 720 0.286E+01
DAV: 5 -0.101068842840E+03 -0.93052E-01 -0.93018E-01 720 0.365E+00 0.226E+01
DAV: 6 -0.925013894866E+02 0.85675E+01 -0.30720E+01 704 0.302E+01 0.118E+01
DAV: 7 -0.916554134897E+02 0.84598E+00 -0.16546E+00 728 0.612E+00 0.480E+00
DAV: 8 -0.912779484246E+02 0.37747E+00 -0.55251E-01 712 0.401E+00 0.163E+00
DAV: 9 -0.911949578797E+02 0.82991E-01 -0.12969E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.911854863112E+02 0.94716E-02 -0.47238E-02 741 0.110E+00 0.308E-01
DAV: 11 -0.911906265320E+02 -0.51402E-02 -0.14377E-02 616 0.627E-01 0.161E-01
DAV: 12 -0.911932101900E+02 -0.25837E-02 -0.29545E-03 650 0.243E-01 0.138E-01
DAV: 13 -0.911971501900E+02 -0.39400E-02 -0.30104E-03 706 0.316E-01 0.579E-02
DAV: 14 -0.911995022262E+02 -0.23520E-02 -0.43280E-04 680 0.109E-01 0.473E-02
DAV: 15 -0.912021129256E+02 -0.26107E-02 -0.31973E-04 637 0.804E-02 0.291E-02
DAV: 16 -0.912029479536E+02 -0.83503E-03 -0.20523E-04 688 0.693E-02 0.192E-02
DAV: 17 -0.912035900311E+02 -0.64208E-03 -0.79005E-05 639 0.461E-02 0.105E-02
DAV: 18 -0.912037393698E+02 -0.14934E-03 -0.15576E-05 472 0.206E-02 0.616E-03
DAV: 19 -0.912037885381E+02 -0.49168E-04 -0.88517E-06 493 0.179E-02 0.290E-03
DAV: 20 -0.912038269288E+02 -0.38391E-04 -0.39291E-06 410 0.953E-03 0.235E-03
DAV: 21 -0.912038460897E+02 -0.19161E-04 -0.30635E-06 439 0.696E-03 0.191E-03
DAV: 22 -0.912038482454E+02 -0.21556E-05 -0.85982E-07 528 0.542E-03
1 F= -.91203848E+02 E0= -.91208871E+02 d E =0.150683E-01