./iterations/neb0_image05_iter164_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 0.367842794306E+03 0.36784E+03 -0.14330E+04 632 0.799E+02
DAV: 2 0.177398735031E+01 -0.36607E+03 -0.35294E+03 869 0.194E+02
DAV: 3 -0.952673273756E+02 -0.97041E+02 -0.96707E+02 640 0.115E+02
DAV: 4 -0.999170851340E+02 -0.46498E+01 -0.46395E+01 712 0.295E+01
DAV: 5 -0.100010995519E+03 -0.93910E-01 -0.93866E-01 736 0.374E+00 0.222E+01
DAV: 6 -0.915202514470E+02 0.84907E+01 -0.30248E+01 672 0.296E+01 0.117E+01
DAV: 7 -0.907122389036E+02 0.80801E+00 -0.18313E+00 728 0.634E+00 0.481E+00
DAV: 8 -0.903339052610E+02 0.37833E+00 -0.54385E-01 720 0.427E+00 0.168E+00
DAV: 9 -0.902446839369E+02 0.89221E-01 -0.13440E-01 712 0.164E+00 0.432E-01
DAV: 10 -0.902366199485E+02 0.80640E-02 -0.48690E-02 760 0.128E+00 0.328E-01
DAV: 11 -0.902396822639E+02 -0.30623E-02 -0.64728E-03 632 0.510E-01 0.145E-01
DAV: 12 -0.902426398785E+02 -0.29576E-02 -0.80467E-03 616 0.495E-01 0.142E-01
DAV: 13 -0.902450705667E+02 -0.24307E-02 -0.19139E-03 877 0.350E-01 0.746E-02
DAV: 14 -0.902484151868E+02 -0.33446E-02 -0.14163E-03 628 0.166E-01 0.554E-02
DAV: 15 -0.902513325586E+02 -0.29174E-02 -0.40524E-04 685 0.927E-02 0.472E-02
DAV: 16 -0.902529255919E+02 -0.15930E-02 -0.58290E-04 688 0.137E-01 0.248E-02
DAV: 17 -0.902537223492E+02 -0.79676E-03 -0.10008E-04 669 0.565E-02 0.242E-02
DAV: 18 -0.902540834174E+02 -0.36107E-03 -0.81895E-05 656 0.443E-02 0.972E-03
DAV: 19 -0.902541614346E+02 -0.78017E-04 -0.13111E-05 504 0.221E-02 0.333E-03
DAV: 20 -0.902542307508E+02 -0.69316E-04 -0.86553E-06 418 0.131E-02 0.333E-03
DAV: 21 -0.902542562690E+02 -0.25518E-04 -0.30143E-06 472 0.647E-03 0.287E-03
DAV: 22 -0.902542643265E+02 -0.80575E-05 -0.18014E-06 436 0.680E-03
1 F= -.90254264E+02 E0= -.90262055E+02 d E =0.233725E-01