./iterations/neb0_image03_iter49_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 0.423595327589E+04 0.42360E+04 -0.23867E+05 2892 0.117E+03
DAV: 2 -0.430158907923E+03 -0.46661E+04 -0.45666E+04 3363 0.329E+02
DAV: 3 -0.943084260232E+03 -0.51293E+03 -0.51071E+03 3120 0.117E+02
DAV: 4 -0.955317364085E+03 -0.12233E+02 -0.12187E+02 3192 0.195E+01
DAV: 5 -0.955719750473E+03 -0.40239E+00 -0.40186E+00 3210 0.321E+00 0.813E+01
DAV: 6 -0.847615964407E+03 0.10810E+03 -0.47055E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.847154182568E+03 0.46178E+00 -0.14507E+01 3543 0.612E+00 0.146E+01
DAV: 8 -0.846821779591E+03 0.33240E+00 -0.97179E-01 3156 0.237E+00 0.594E+00
DAV: 9 -0.846776692198E+03 0.45087E-01 -0.40806E-01 3192 0.152E+00 0.854E-01
DAV: 10 -0.846783469854E+03 -0.67777E-02 -0.75132E-02 3120 0.614E-01 0.601E-01
DAV: 11 -0.846783400920E+03 0.68933E-04 -0.67414E-03 3129 0.208E-01 0.347E-01
DAV: 12 -0.846784755827E+03 -0.13549E-02 -0.70672E-03 3066 0.241E-01 0.120E-01
DAV: 13 -0.846788308645E+03 -0.35528E-02 -0.44386E-03 3237 0.212E-01 0.137E-01
DAV: 14 -0.846792613498E+03 -0.43049E-02 -0.30534E-03 3075 0.146E-01 0.960E-02
DAV: 15 -0.846797196399E+03 -0.45829E-02 -0.10965E-03 3174 0.825E-02 0.341E-02
DAV: 16 -0.846799817243E+03 -0.26208E-02 -0.46523E-04 3084 0.506E-02 0.372E-02
DAV: 17 -0.846800922041E+03 -0.11048E-02 -0.22765E-04 3147 0.381E-02 0.260E-02
DAV: 18 -0.846801570730E+03 -0.64869E-03 -0.31523E-05 2499 0.195E-02 0.143E-02
DAV: 19 -0.846802157623E+03 -0.58689E-03 -0.41521E-05 2679 0.223E-02 0.693E-03
DAV: 20 -0.846802268714E+03 -0.11109E-03 -0.32848E-05 2724 0.145E-02 0.688E-03
DAV: 21 -0.846802311754E+03 -0.43041E-04 -0.33244E-06 2004 0.462E-03 0.588E-03
DAV: 22 -0.846802333723E+03 -0.21969E-04 -0.23502E-06 1986 0.346E-03 0.261E-03
DAV: 23 -0.846802343050E+03 -0.93275E-05 -0.15517E-06 1986 0.303E-03
1 F= -.84680234E+03 E0= -.84680621E+03 d E =0.115959E-01