iterations/neb0_image07_iter10_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 0.422931191637E+04 0.42293E+04 -0.23855E+05 2892 0.117E+03
DAV: 2 -0.425077619641E+03 -0.46544E+04 -0.45586E+04 3348 0.329E+02
DAV: 3 -0.941000461529E+03 -0.51592E+03 -0.51359E+03 3120 0.118E+02
DAV: 4 -0.953403814994E+03 -0.12403E+02 -0.12355E+02 3183 0.196E+01
DAV: 5 -0.953811870411E+03 -0.40806E+00 -0.40750E+00 3174 0.322E+00 0.809E+01
DAV: 6 -0.845532400680E+03 0.10828E+03 -0.47226E+02 3057 0.347E+01 0.375E+01
DAV: 7 -0.845091880147E+03 0.44052E+00 -0.14278E+01 3534 0.603E+00 0.146E+01
DAV: 8 -0.844749428804E+03 0.34245E+00 -0.92345E-01 3165 0.228E+00 0.602E+00
DAV: 9 -0.844691244917E+03 0.58184E-01 -0.42491E-01 3165 0.149E+00 0.874E-01
DAV: 10 -0.844689118762E+03 0.21262E-02 -0.62230E-02 3147 0.556E-01 0.574E-01
DAV: 11 -0.844684264395E+03 0.48544E-02 -0.74054E-03 3120 0.226E-01 0.306E-01
DAV: 12 -0.844680184757E+03 0.40796E-02 -0.61684E-03 3111 0.240E-01 0.120E-01
DAV: 13 -0.844680386729E+03 -0.20197E-03 -0.43273E-03 3048 0.222E-01 0.136E-01
DAV: 14 -0.844683824020E+03 -0.34373E-02 -0.29607E-03 3066 0.145E-01 0.890E-02
DAV: 15 -0.844687663316E+03 -0.38393E-02 -0.77576E-04 3066 0.783E-02 0.348E-02
DAV: 16 -0.844690981477E+03 -0.33182E-02 -0.66409E-04 3084 0.677E-02 0.353E-02
DAV: 17 -0.844692200594E+03 -0.12191E-02 -0.24367E-04 3120 0.350E-02 0.236E-02
DAV: 18 -0.844692797902E+03 -0.59731E-03 -0.23411E-05 2274 0.135E-02 0.155E-02
DAV: 19 -0.844693514071E+03 -0.71617E-03 -0.51587E-05 2733 0.207E-02 0.666E-03
DAV: 20 -0.844693640171E+03 -0.12610E-03 -0.21981E-05 2157 0.121E-02 0.582E-03
DAV: 21 -0.844693704417E+03 -0.64246E-04 -0.53502E-06 1977 0.569E-03 0.482E-03
DAV: 22 -0.844693735728E+03 -0.31310E-04 -0.34180E-06 1977 0.389E-03 0.250E-03
DAV: 23 -0.844693745395E+03 -0.96669E-05 -0.15505E-06 1995 0.268E-03
1 F= -.84469375E+03 E0= -.84469761E+03 d E =0.116083E-01