iterations/neb0_image02_iter160_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 0.367077319265E+03 0.36708E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.258827376559E+01 -0.36449E+03 -0.35224E+03 853 0.195E+02
DAV: 3 -0.957133490528E+02 -0.98302E+02 -0.97959E+02 664 0.116E+02
DAV: 4 -0.100214888733E+03 -0.45015E+01 -0.44908E+01 728 0.285E+01
DAV: 5 -0.100303456499E+03 -0.88568E-01 -0.88538E-01 744 0.358E+00 0.222E+01
DAV: 6 -0.916780267415E+02 0.86254E+01 -0.30907E+01 688 0.298E+01 0.117E+01
DAV: 7 -0.908550919743E+02 0.82293E+00 -0.18299E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.904734576493E+02 0.38163E+00 -0.56501E-01 704 0.434E+00 0.168E+00
DAV: 9 -0.903878333581E+02 0.85624E-01 -0.13606E-01 712 0.166E+00 0.433E-01
DAV: 10 -0.903822723235E+02 0.55610E-02 -0.48878E-02 712 0.129E+00 0.330E-01
DAV: 11 -0.903854712526E+02 -0.31989E-02 -0.66937E-03 616 0.533E-01 0.143E-01
DAV: 12 -0.903887338370E+02 -0.32626E-02 -0.77782E-03 632 0.465E-01 0.136E-01
DAV: 13 -0.903915657528E+02 -0.28319E-02 -0.19893E-03 880 0.356E-01 0.830E-02
DAV: 14 -0.903944833161E+02 -0.29176E-02 -0.12286E-03 642 0.159E-01 0.642E-02
DAV: 15 -0.903967018910E+02 -0.22186E-02 -0.42828E-04 661 0.113E-01 0.457E-02
DAV: 16 -0.903981020579E+02 -0.14002E-02 -0.69957E-04 688 0.147E-01 0.332E-02
DAV: 17 -0.903989074752E+02 -0.80542E-03 -0.14210E-04 720 0.783E-02 0.193E-02
DAV: 18 -0.903991421757E+02 -0.23470E-03 -0.76620E-05 696 0.432E-02 0.788E-03
DAV: 19 -0.903992836267E+02 -0.14145E-03 -0.16598E-05 450 0.238E-02 0.381E-03
DAV: 20 -0.903993329941E+02 -0.49367E-04 -0.61072E-06 488 0.116E-02 0.243E-03
DAV: 21 -0.903993707000E+02 -0.37706E-04 -0.56143E-06 420 0.137E-02 0.291E-03
DAV: 22 -0.903993810598E+02 -0.10360E-04 -0.15723E-06 480 0.742E-03 0.173E-03
DAV: 23 -0.903993843495E+02 -0.32897E-05 -0.28319E-06 480 0.111E-02
1 F= -.90399384E+02 E0= -.90406562E+02 d E =0.215340E-01