./neb0_image03_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 0.366310729514E+03 0.36631E+03 -0.14289E+04 624 0.799E+02
DAV: 2 0.137885840271E+01 -0.36493E+03 -0.35285E+03 855 0.196E+02
DAV: 3 -0.959543254517E+02 -0.97333E+02 -0.97025E+02 664 0.116E+02
DAV: 4 -0.100282834513E+03 -0.43285E+01 -0.43189E+01 704 0.281E+01
DAV: 5 -0.100367621701E+03 -0.84787E-01 -0.84760E-01 752 0.353E+00 0.222E+01
DAV: 6 -0.916932411911E+02 0.86744E+01 -0.31445E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908594105979E+02 0.83383E+00 -0.17878E+00 712 0.630E+00 0.484E+00
DAV: 8 -0.904699293130E+02 0.38948E+00 -0.55591E-01 696 0.430E+00 0.171E+00
DAV: 9 -0.903807489875E+02 0.89180E-01 -0.14203E-01 704 0.175E+00 0.451E-01
DAV: 10 -0.903744108947E+02 0.63381E-02 -0.40364E-02 720 0.117E+00 0.323E-01
DAV: 11 -0.903774786504E+02 -0.30678E-02 -0.49659E-03 632 0.539E-01 0.136E-01
DAV: 12 -0.903809611555E+02 -0.34825E-02 -0.51857E-03 616 0.349E-01 0.108E-01
DAV: 13 -0.903852439571E+02 -0.42828E-02 -0.10592E-03 701 0.223E-01 0.707E-02
DAV: 14 -0.903889155573E+02 -0.36716E-02 -0.12196E-03 648 0.153E-01 0.449E-02
DAV: 15 -0.903910529593E+02 -0.21374E-02 -0.28689E-04 736 0.105E-01 0.201E-02
DAV: 16 -0.903924903930E+02 -0.14374E-02 -0.28653E-04 647 0.846E-02 0.267E-02
DAV: 17 -0.903929004145E+02 -0.41002E-03 -0.99661E-05 800 0.753E-02 0.119E-02
DAV: 18 -0.903933128023E+02 -0.41239E-03 -0.96122E-05 628 0.495E-02 0.151E-02
DAV: 19 -0.903933693645E+02 -0.56562E-04 -0.14002E-05 544 0.297E-02 0.719E-03
DAV: 20 -0.903934542067E+02 -0.84842E-04 -0.18600E-05 442 0.234E-02 0.223E-03
DAV: 21 -0.903934965711E+02 -0.42364E-04 -0.74651E-06 447 0.118E-02 0.258E-03
DAV: 22 -0.903935031360E+02 -0.65650E-05 -0.12256E-06 520 0.528E-03
1 F= -.90393503E+02 E0= -.90401977E+02 d E =0.254225E-01