./iterations/neb0_image03_iter192_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 0.364118508931E+03 0.36412E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.432773340704E-01 -0.36408E+03 -0.35400E+03 858 0.195E+02
DAV: 3 -0.960959309297E+02 -0.96139E+02 -0.95831E+02 666 0.115E+02
DAV: 4 -0.100277702976E+03 -0.41818E+01 -0.41704E+01 712 0.273E+01
DAV: 5 -0.100359957744E+03 -0.82255E-01 -0.82217E-01 736 0.345E+00 0.222E+01
DAV: 6 -0.917273596977E+02 0.86326E+01 -0.31014E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.908849629662E+02 0.84240E+00 -0.18257E+00 704 0.636E+00 0.484E+00
DAV: 8 -0.904874217481E+02 0.39754E+00 -0.56396E-01 696 0.430E+00 0.169E+00
DAV: 9 -0.903905935468E+02 0.96828E-01 -0.13205E-01 712 0.177E+00 0.443E-01
DAV: 10 -0.903823067536E+02 0.82868E-02 -0.56817E-02 712 0.136E+00 0.357E-01
DAV: 11 -0.903866307383E+02 -0.43240E-02 -0.13474E-02 624 0.742E-01 0.134E-01
DAV: 12 -0.903889841236E+02 -0.23534E-02 -0.60639E-03 637 0.362E-01 0.138E-01
DAV: 13 -0.903921799165E+02 -0.31958E-02 -0.25606E-03 826 0.408E-01 0.804E-02
DAV: 14 -0.903961383894E+02 -0.39585E-02 -0.18222E-03 669 0.255E-01 0.738E-02
DAV: 15 -0.903979819532E+02 -0.18436E-02 -0.25786E-04 680 0.893E-02 0.483E-02
DAV: 16 -0.903996383810E+02 -0.16564E-02 -0.69484E-04 648 0.155E-01 0.266E-02
DAV: 17 -0.904004321543E+02 -0.79377E-03 -0.80761E-05 680 0.572E-02 0.248E-02
DAV: 18 -0.904010429759E+02 -0.61082E-03 -0.16933E-04 674 0.801E-02 0.959E-03
DAV: 19 -0.904011983285E+02 -0.15535E-03 -0.22788E-05 576 0.290E-02 0.660E-03
DAV: 20 -0.904012973949E+02 -0.99066E-04 -0.16842E-05 493 0.184E-02 0.408E-03
DAV: 21 -0.904013367024E+02 -0.39307E-04 -0.45790E-06 482 0.137E-02 0.194E-03
DAV: 22 -0.904013677052E+02 -0.31003E-04 -0.66980E-06 437 0.135E-02 0.282E-03
DAV: 23 -0.904013725176E+02 -0.48125E-05 -0.15866E-06 512 0.833E-03
1 F= -.90401373E+02 E0= -.90406642E+02 d E =0.158090E-01