./iterations/neb0_image03_iter42_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 0.423550988812E+04 0.42355E+04 -0.23867E+05 2892 0.117E+03
DAV: 2 -0.430119136951E+03 -0.46656E+04 -0.45664E+04 3363 0.329E+02
DAV: 3 -0.943045667133E+03 -0.51293E+03 -0.51071E+03 3120 0.117E+02
DAV: 4 -0.955290572615E+03 -0.12245E+02 -0.12200E+02 3201 0.196E+01
DAV: 5 -0.955687547509E+03 -0.39697E+00 -0.39646E+00 3210 0.319E+00 0.813E+01
DAV: 6 -0.847569142952E+03 0.10812E+03 -0.47070E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.847105732267E+03 0.46341E+00 -0.14459E+01 3534 0.610E+00 0.146E+01
DAV: 8 -0.846773263918E+03 0.33247E+00 -0.96532E-01 3165 0.237E+00 0.594E+00
DAV: 9 -0.846728787678E+03 0.44476E-01 -0.40949E-01 3192 0.153E+00 0.856E-01
DAV: 10 -0.846735839414E+03 -0.70517E-02 -0.75044E-02 3120 0.614E-01 0.602E-01
DAV: 11 -0.846735827462E+03 0.11952E-04 -0.67155E-03 3129 0.208E-01 0.348E-01
DAV: 12 -0.846737201587E+03 -0.13741E-02 -0.70424E-03 3057 0.243E-01 0.120E-01
DAV: 13 -0.846740715624E+03 -0.35140E-02 -0.44452E-03 3246 0.214E-01 0.136E-01
DAV: 14 -0.846744968521E+03 -0.42529E-02 -0.30577E-03 3075 0.147E-01 0.962E-02
DAV: 15 -0.846749581683E+03 -0.46132E-02 -0.11271E-03 3183 0.837E-02 0.345E-02
DAV: 16 -0.846752121763E+03 -0.25401E-02 -0.44901E-04 3084 0.500E-02 0.377E-02
DAV: 17 -0.846753199168E+03 -0.10774E-02 -0.23673E-04 3129 0.386E-02 0.263E-02
DAV: 18 -0.846753848210E+03 -0.64904E-03 -0.31735E-05 2490 0.196E-02 0.145E-02
DAV: 19 -0.846754444804E+03 -0.59659E-03 -0.42526E-05 2706 0.225E-02 0.712E-03
DAV: 20 -0.846754551512E+03 -0.10671E-03 -0.33298E-05 2742 0.144E-02 0.686E-03
DAV: 21 -0.846754595365E+03 -0.43853E-04 -0.32396E-06 2004 0.458E-03 0.587E-03
DAV: 22 -0.846754618799E+03 -0.23435E-04 -0.23960E-06 1986 0.357E-03 0.256E-03
DAV: 23 -0.846754628264E+03 -0.94650E-05 -0.15525E-06 1986 0.308E-03
1 F= -.84675463E+03 E0= -.84675849E+03 d E =0.115959E-01