./iterations/neb0_image03_iter62_OSZICAR.out output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.423638730349E+04 0.42364E+04 -0.23868E+05 2892 0.117E+03
DAV: 2 -0.431282780019E+03 -0.46677E+04 -0.45684E+04 3372 0.329E+02
DAV: 3 -0.943226813518E+03 -0.51194E+03 -0.50976E+03 3120 0.117E+02
DAV: 4 -0.955385950571E+03 -0.12159E+02 -0.12114E+02 3183 0.195E+01
DAV: 5 -0.955785355418E+03 -0.39940E+00 -0.39888E+00 3210 0.319E+00 0.813E+01
DAV: 6 -0.847711748604E+03 0.10807E+03 -0.47045E+02 3057 0.347E+01 0.377E+01
DAV: 7 -0.847247078979E+03 0.46467E+00 -0.14488E+01 3534 0.611E+00 0.146E+01
DAV: 8 -0.846913962199E+03 0.33312E+00 -0.96728E-01 3165 0.237E+00 0.593E+00
DAV: 9 -0.846867994198E+03 0.45968E-01 -0.40677E-01 3192 0.152E+00 0.854E-01
DAV: 10 -0.846874704849E+03 -0.67107E-02 -0.74038E-02 3120 0.609E-01 0.597E-01
DAV: 11 -0.846874628785E+03 0.76064E-04 -0.67025E-03 3120 0.208E-01 0.342E-01
DAV: 12 -0.846876084590E+03 -0.14558E-02 -0.70052E-03 3066 0.241E-01 0.119E-01
DAV: 13 -0.846879772817E+03 -0.36882E-02 -0.44663E-03 3237 0.211E-01 0.136E-01
DAV: 14 -0.846884139316E+03 -0.43665E-02 -0.29647E-03 3075 0.143E-01 0.948E-02
DAV: 15 -0.846888808758E+03 -0.46694E-02 -0.10909E-03 3156 0.819E-02 0.335E-02
DAV: 16 -0.846891363758E+03 -0.25550E-02 -0.46137E-04 3093 0.498E-02 0.370E-02
DAV: 17 -0.846892453503E+03 -0.10897E-02 -0.21237E-04 3129 0.369E-02 0.252E-02
DAV: 18 -0.846893130580E+03 -0.67708E-03 -0.31077E-05 2427 0.194E-02 0.136E-02
DAV: 19 -0.846893704932E+03 -0.57435E-03 -0.39878E-05 2661 0.218E-02 0.686E-03
DAV: 20 -0.846893816048E+03 -0.11112E-03 -0.31417E-05 2688 0.143E-02 0.649E-03
DAV: 21 -0.846893857053E+03 -0.41005E-04 -0.33148E-06 1995 0.453E-03 0.571E-03
DAV: 22 -0.846893878431E+03 -0.21378E-04 -0.21637E-06 1995 0.337E-03 0.254E-03
DAV: 23 -0.846893887199E+03 -0.87681E-05 -0.15529E-06 1986 0.304E-03
1 F= -.84689389E+03 E0= -.84689775E+03 d E =0.115959E-01