./iterations/neb0_image03_iter58_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 0.423626140145E+04 0.42363E+04 -0.23868E+05 2892 0.117E+03
DAV: 2 -0.430166994148E+03 -0.46664E+04 -0.45667E+04 3363 0.329E+02
DAV: 3 -0.943120921341E+03 -0.51295E+03 -0.51075E+03 3120 0.117E+02
DAV: 4 -0.955351844725E+03 -0.12231E+02 -0.12185E+02 3183 0.195E+01
DAV: 5 -0.955754243884E+03 -0.40240E+00 -0.40187E+00 3210 0.321E+00 0.813E+01
DAV: 6 -0.847688751142E+03 0.10807E+03 -0.47044E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.847224462771E+03 0.46429E+00 -0.14468E+01 3534 0.610E+00 0.146E+01
DAV: 8 -0.846890606256E+03 0.33386E+00 -0.96495E-01 3165 0.236E+00 0.593E+00
DAV: 9 -0.846845121249E+03 0.45485E-01 -0.40748E-01 3192 0.152E+00 0.855E-01
DAV: 10 -0.846851925459E+03 -0.68042E-02 -0.74584E-02 3120 0.611E-01 0.600E-01
DAV: 11 -0.846851859658E+03 0.65800E-04 -0.67175E-03 3129 0.207E-01 0.346E-01
DAV: 12 -0.846853296675E+03 -0.14370E-02 -0.70491E-03 3075 0.242E-01 0.120E-01
DAV: 13 -0.846856973692E+03 -0.36770E-02 -0.45084E-03 3246 0.212E-01 0.136E-01
DAV: 14 -0.846861358250E+03 -0.43846E-02 -0.29938E-03 3075 0.144E-01 0.954E-02
DAV: 15 -0.846866027376E+03 -0.46691E-02 -0.10947E-03 3183 0.811E-02 0.337E-02
DAV: 16 -0.846868610302E+03 -0.25829E-02 -0.46366E-04 3084 0.501E-02 0.377E-02
DAV: 17 -0.846869679865E+03 -0.10696E-02 -0.22364E-04 3120 0.376E-02 0.258E-02
DAV: 18 -0.846870350194E+03 -0.67033E-03 -0.32051E-05 2517 0.194E-02 0.139E-02
DAV: 19 -0.846870946952E+03 -0.59676E-03 -0.40226E-05 2670 0.218E-02 0.702E-03
DAV: 20 -0.846871063529E+03 -0.11658E-03 -0.32152E-05 2706 0.145E-02 0.645E-03
DAV: 21 -0.846871105233E+03 -0.41705E-04 -0.33152E-06 2004 0.453E-03 0.569E-03
DAV: 22 -0.846871126967E+03 -0.21734E-04 -0.20406E-06 1986 0.327E-03 0.263E-03
DAV: 23 -0.846871136744E+03 -0.97768E-05 -0.15810E-06 1986 0.310E-03
1 F= -.84687114E+03 E0= -.84687500E+03 d E =0.115959E-01