./iterations/neb0_image01_iter69_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 0.423247436106E+04 0.42325E+04 -0.23864E+05 2892 0.117E+03
DAV: 2 -0.430682878785E+03 -0.46632E+04 -0.45602E+04 3366 0.329E+02
DAV: 3 -0.943544987492E+03 -0.51286E+03 -0.51064E+03 3120 0.117E+02
DAV: 4 -0.955749557141E+03 -0.12205E+02 -0.12160E+02 3192 0.195E+01
DAV: 5 -0.956144522301E+03 -0.39497E+00 -0.39444E+00 3201 0.318E+00 0.813E+01
DAV: 6 -0.848060319042E+03 0.10808E+03 -0.47095E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847591219184E+03 0.46910E+00 -0.14412E+01 3543 0.607E+00 0.146E+01
DAV: 8 -0.847252989479E+03 0.33823E+00 -0.96073E-01 3147 0.237E+00 0.593E+00
DAV: 9 -0.847206054519E+03 0.46935E-01 -0.41097E-01 3192 0.150E+00 0.856E-01
DAV: 10 -0.847212378247E+03 -0.63237E-02 -0.70209E-02 3147 0.594E-01 0.588E-01
DAV: 11 -0.847212192113E+03 0.18613E-03 -0.64436E-03 3120 0.207E-01 0.330E-01
DAV: 12 -0.847213668497E+03 -0.14764E-02 -0.70366E-03 3048 0.243E-01 0.117E-01
DAV: 13 -0.847217091504E+03 -0.34230E-02 -0.43651E-03 3201 0.209E-01 0.135E-01
DAV: 14 -0.847221106549E+03 -0.40150E-02 -0.27951E-03 3111 0.137E-01 0.937E-02
DAV: 15 -0.847226051420E+03 -0.49449E-02 -0.12391E-03 3048 0.875E-02 0.363E-02
DAV: 16 -0.847228237575E+03 -0.21862E-02 -0.40373E-04 3156 0.476E-02 0.368E-02
DAV: 17 -0.847229275697E+03 -0.10381E-02 -0.18970E-04 3084 0.331E-02 0.248E-02
DAV: 18 -0.847230016064E+03 -0.74037E-03 -0.27407E-05 2346 0.184E-02 0.134E-02
DAV: 19 -0.847230567625E+03 -0.55156E-03 -0.40081E-05 2688 0.209E-02 0.731E-03
DAV: 20 -0.847230664835E+03 -0.97210E-04 -0.32593E-05 2688 0.146E-02 0.686E-03
DAV: 21 -0.847230696994E+03 -0.32159E-04 -0.34696E-06 2004 0.434E-03 0.595E-03
DAV: 22 -0.847230716382E+03 -0.19387E-04 -0.20088E-06 1995 0.332E-03 0.282E-03
DAV: 23 -0.847230725004E+03 -0.86219E-05 -0.15976E-06 1977 0.306E-03
1 F= -.84723073E+03 E0= -.84723459E+03 d E =0.115958E-01