./iterations/neb0_image03_iter33_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 0.423509253659E+04 0.42351E+04 -0.23867E+05 2892 0.117E+03
DAV: 2 -0.428194296663E+03 -0.46633E+04 -0.45644E+04 3348 0.329E+02
DAV: 3 -0.942948908711E+03 -0.51475E+03 -0.51251E+03 3120 0.118E+02
DAV: 4 -0.955282956021E+03 -0.12334E+02 -0.12287E+02 3183 0.196E+01
DAV: 5 -0.955690334748E+03 -0.40738E+00 -0.40685E+00 3210 0.322E+00 0.813E+01
DAV: 6 -0.847475546944E+03 0.10821E+03 -0.47103E+02 3057 0.347E+01 0.377E+01
DAV: 7 -0.847000973427E+03 0.47457E+00 -0.14431E+01 3534 0.611E+00 0.146E+01
DAV: 8 -0.846668425688E+03 0.33255E+00 -0.96578E-01 3174 0.238E+00 0.594E+00
DAV: 9 -0.846624413311E+03 0.44012E-01 -0.41091E-01 3174 0.153E+00 0.859E-01
DAV: 10 -0.846631357531E+03 -0.69442E-02 -0.74314E-02 3120 0.613E-01 0.600E-01
DAV: 11 -0.846631278061E+03 0.79470E-04 -0.66820E-03 3120 0.209E-01 0.344E-01
DAV: 12 -0.846632486407E+03 -0.12083E-02 -0.68826E-03 3057 0.243E-01 0.119E-01
DAV: 13 -0.846635868340E+03 -0.33819E-02 -0.43972E-03 3210 0.214E-01 0.134E-01
DAV: 14 -0.846640004082E+03 -0.41357E-02 -0.30157E-03 3093 0.145E-01 0.944E-02
DAV: 15 -0.846644560497E+03 -0.45564E-02 -0.11320E-03 3138 0.857E-02 0.349E-02
DAV: 16 -0.846646980560E+03 -0.24201E-02 -0.42404E-04 3075 0.496E-02 0.372E-02
DAV: 17 -0.846648056007E+03 -0.10754E-02 -0.23523E-04 3111 0.379E-02 0.258E-02
DAV: 18 -0.846648716451E+03 -0.66044E-03 -0.31442E-05 2508 0.198E-02 0.137E-02
DAV: 19 -0.846649288953E+03 -0.57250E-03 -0.40104E-05 2706 0.219E-02 0.689E-03
DAV: 20 -0.846649392840E+03 -0.10389E-03 -0.30709E-05 2697 0.139E-02 0.662E-03
DAV: 21 -0.846649435247E+03 -0.42407E-04 -0.31198E-06 1986 0.443E-03 0.563E-03
DAV: 22 -0.846649457850E+03 -0.22603E-04 -0.22403E-06 1995 0.345E-03 0.249E-03
DAV: 23 -0.846649467083E+03 -0.92331E-05 -0.14788E-06 1986 0.307E-03
1 F= -.84664947E+03 E0= -.84665333E+03 d E =0.115959E-01