iterations/neb0_image01_iter274_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 0.362212213527E+03 0.36221E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.331092092066E+01 -0.35890E+03 -0.34665E+03 820 0.195E+02
DAV: 3 -0.956496129057E+02 -0.98961E+02 -0.98618E+02 680 0.116E+02
DAV: 4 -0.100186958573E+03 -0.45373E+01 -0.45252E+01 696 0.280E+01
DAV: 5 -0.100275251691E+03 -0.88293E-01 -0.88251E-01 728 0.351E+00 0.221E+01
DAV: 6 -0.916876445936E+02 0.85876E+01 -0.30958E+01 685 0.299E+01 0.116E+01
DAV: 7 -0.908912548985E+02 0.79639E+00 -0.18419E+00 720 0.639E+00 0.483E+00
DAV: 8 -0.905146670782E+02 0.37659E+00 -0.55188E-01 704 0.430E+00 0.169E+00
DAV: 9 -0.904294047498E+02 0.85262E-01 -0.13579E-01 720 0.164E+00 0.427E-01
DAV: 10 -0.904243228320E+02 0.50819E-02 -0.44904E-02 693 0.124E+00 0.315E-01
DAV: 11 -0.904280766113E+02 -0.37538E-02 -0.64023E-03 608 0.480E-01 0.143E-01
DAV: 12 -0.904316501304E+02 -0.35735E-02 -0.73109E-03 620 0.503E-01 0.132E-01
DAV: 13 -0.904342793025E+02 -0.26292E-02 -0.16589E-03 888 0.321E-01 0.757E-02
DAV: 14 -0.904373171110E+02 -0.30378E-02 -0.13036E-03 642 0.171E-01 0.585E-02
DAV: 15 -0.904393340231E+02 -0.20169E-02 -0.37695E-04 680 0.112E-01 0.455E-02
DAV: 16 -0.904408319385E+02 -0.14979E-02 -0.82232E-04 666 0.169E-01 0.359E-02
DAV: 17 -0.904415371294E+02 -0.70519E-03 -0.13630E-04 736 0.840E-02 0.244E-02
DAV: 18 -0.904417668790E+02 -0.22975E-03 -0.86055E-05 669 0.464E-02 0.917E-03
DAV: 19 -0.904419473168E+02 -0.18044E-03 -0.34587E-05 530 0.288E-02 0.570E-03
DAV: 20 -0.904419749417E+02 -0.27625E-04 -0.44774E-06 488 0.144E-02 0.700E-03
DAV: 21 -0.904420171870E+02 -0.42245E-04 -0.83217E-06 395 0.173E-02 0.464E-03
DAV: 22 -0.904420251257E+02 -0.79387E-05 -0.46912E-06 480 0.140E-02
1 F= -.90442025E+02 E0= -.90447696E+02 d E =0.170124E-01