iterations/neb0_image03_iter43_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 0.368835812194E+03 0.36884E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.418428846512E+01 -0.36465E+03 -0.35143E+03 845 0.195E+02
DAV: 3 -0.952707703988E+02 -0.99455E+02 -0.99120E+02 656 0.116E+02
DAV: 4 -0.999833586367E+02 -0.47126E+01 -0.47022E+01 712 0.294E+01
DAV: 5 -0.100074392639E+03 -0.91034E-01 -0.90995E-01 736 0.370E+00 0.224E+01
DAV: 6 -0.914747221846E+02 0.85997E+01 -0.30375E+01 688 0.296E+01 0.117E+01
DAV: 7 -0.906069991803E+02 0.86772E+00 -0.18074E+00 696 0.636E+00 0.482E+00
DAV: 8 -0.902047527921E+02 0.40225E+00 -0.56949E-01 712 0.427E+00 0.165E+00
DAV: 9 -0.901120157921E+02 0.92737E-01 -0.13829E-01 704 0.166E+00 0.435E-01
DAV: 10 -0.901044279248E+02 0.75879E-02 -0.47262E-02 712 0.118E+00 0.334E-01
DAV: 11 -0.901083179415E+02 -0.38900E-02 -0.84071E-03 605 0.579E-01 0.116E-01
DAV: 12 -0.901106874016E+02 -0.23695E-02 -0.39362E-03 648 0.283E-01 0.116E-01
DAV: 13 -0.901144525270E+02 -0.37651E-02 -0.12278E-03 821 0.261E-01 0.695E-02
DAV: 14 -0.901180274467E+02 -0.35749E-02 -0.10145E-03 661 0.140E-01 0.489E-02
DAV: 15 -0.901205273846E+02 -0.24999E-02 -0.27745E-04 664 0.931E-02 0.240E-02
DAV: 16 -0.901221317668E+02 -0.16044E-02 -0.30082E-04 677 0.862E-02 0.271E-02
DAV: 17 -0.901225832699E+02 -0.45150E-03 -0.11192E-04 768 0.798E-02 0.135E-02
DAV: 18 -0.901230303842E+02 -0.44711E-03 -0.99545E-05 650 0.487E-02 0.148E-02
DAV: 19 -0.901231018910E+02 -0.71507E-04 -0.97191E-06 488 0.319E-02 0.772E-03
DAV: 20 -0.901231744318E+02 -0.72541E-04 -0.46245E-05 634 0.387E-02 0.879E-03
DAV: 21 -0.901232135923E+02 -0.39161E-04 -0.13448E-05 517 0.328E-02 0.201E-03
DAV: 22 -0.901232338002E+02 -0.20208E-04 -0.41042E-06 461 0.134E-02 0.113E-03
DAV: 23 -0.901232427001E+02 -0.88999E-05 -0.17568E-06 439 0.613E-03
1 F= -.90123243E+02 E0= -.90133379E+02 d E =0.304074E-01