./iterations/neb0_image08_iter52_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 0.423722899264E+04 0.42372E+04 -0.23864E+05 2892 0.117E+03
DAV: 2 -0.428195385362E+03 -0.46654E+04 -0.45664E+04 3360 0.329E+02
DAV: 3 -0.942918432413E+03 -0.51472E+03 -0.51253E+03 3120 0.118E+02
DAV: 4 -0.955184151968E+03 -0.12266E+02 -0.12220E+02 3183 0.196E+01
DAV: 5 -0.955586862646E+03 -0.40271E+00 -0.40215E+00 3183 0.321E+00 0.813E+01
DAV: 6 -0.847585991966E+03 0.10800E+03 -0.47142E+02 3093 0.348E+01 0.376E+01
DAV: 7 -0.846956561124E+03 0.62943E+00 -0.14815E+01 3516 0.643E+00 0.148E+01
DAV: 8 -0.846657640340E+03 0.29892E+00 -0.20854E+00 3174 0.362E+00 0.607E+00
DAV: 9 -0.846568096687E+03 0.89544E-01 -0.82114E-01 3399 0.222E+00 0.149E+00
DAV: 10 -0.846525864284E+03 0.42232E-01 -0.15965E-01 3291 0.999E-01 0.133E+00
DAV: 11 -0.846505697888E+03 0.20166E-01 -0.69615E-02 3354 0.876E-01 0.140E+00
DAV: 12 -0.846494629606E+03 0.11068E-01 -0.82887E-02 3885 0.844E-01 0.103E+00
DAV: 13 -0.846484987231E+03 0.96424E-02 -0.85364E-02 3669 0.516E-01 0.589E-01
DAV: 14 -0.846479457159E+03 0.55301E-02 -0.55085E-02 3309 0.564E-01 0.564E-01
DAV: 15 -0.846475306427E+03 0.41507E-02 -0.21020E-02 3507 0.289E-01 0.297E-01
DAV: 16 -0.846476788679E+03 -0.14823E-02 -0.26590E-02 3363 0.385E-01 0.539E-01
DAV: 17 -0.846473130941E+03 0.36577E-02 -0.19799E-02 3237 0.265E-01 0.280E-01
DAV: 18 -0.846474848840E+03 -0.17179E-02 -0.62661E-03 3021 0.207E-01 0.270E-01
DAV: 19 -0.846475780511E+03 -0.93167E-03 -0.34221E-03 3138 0.132E-01 0.118E-01
DAV: 20 -0.846479017004E+03 -0.32365E-02 -0.20686E-03 3093 0.127E-01 0.159E-01
DAV: 21 -0.846481753953E+03 -0.27369E-02 -0.12333E-03 3102 0.104E-01 0.836E-02
DAV: 22 -0.846483251919E+03 -0.14980E-02 -0.57321E-04 3111 0.517E-02 0.924E-02
DAV: 23 -0.846485002485E+03 -0.17506E-02 -0.38930E-04 3165 0.590E-02 0.105E-01
DAV: 24 -0.846485534768E+03 -0.53228E-03 -0.31036E-04 3255 0.421E-02 0.369E-02
DAV: 25 -0.846485985254E+03 -0.45049E-03 -0.87080E-05 2976 0.310E-02 0.183E-02
DAV: 26 -0.846486273975E+03 -0.28872E-03 -0.45121E-05 2697 0.172E-02 0.135E-02
DAV: 27 -0.846486422895E+03 -0.14892E-03 -0.12517E-05 1968 0.975E-03 0.136E-02
DAV: 28 -0.846486512885E+03 -0.89990E-04 -0.84738E-06 1968 0.691E-03 0.622E-03
DAV: 29 -0.846486544018E+03 -0.31133E-04 -0.43132E-06 1986 0.446E-03 0.453E-03
DAV: 30 -0.846486557170E+03 -0.13153E-04 -0.16152E-06 1986 0.276E-03 0.215E-03
DAV: 31 -0.846486566476E+03 -0.93053E-05 -0.81883E-07 1959 0.213E-03
1 F= -.84648657E+03 E0= -.84653589E+03 d E =0.147970E+00