./iterations/neb0_image01_iter9_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.144730514800E+04 0.14473E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224194319781E+03 -0.12231E+04 -0.11459E+04 435 0.163E+02
DAV: 3 -0.363094515945E+03 -0.58729E+03 -0.58385E+03 345 0.114E+02
DAV: 4 -0.433530198862E+03 -0.70436E+02 -0.70159E+02 318 0.508E+01
DAV: 5 -0.435102496221E+03 -0.15723E+01 -0.15698E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389104144078E+03 0.45998E+02 -0.14809E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385626324283E+03 0.34778E+01 -0.13403E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384148363861E+03 0.14780E+01 -0.20578E+00 327 0.380E+00 0.431E+00
DAV: 9 -0.383599452077E+03 0.54891E+00 -0.14807E+00 336 0.236E+00 0.133E+00
DAV: 10 -0.383546064616E+03 0.53387E-01 -0.45211E-01 318 0.114E+00 0.977E-01
DAV: 11 -0.383506472662E+03 0.39592E-01 -0.82493E-02 345 0.624E-01 0.729E-01
DAV: 12 -0.383494466903E+03 0.12006E-01 -0.70976E-02 354 0.699E-01 0.103E+00
DAV: 13 -0.383472790970E+03 0.21676E-01 -0.16527E-01 354 0.518E-01 0.604E-01
DAV: 14 -0.383464391929E+03 0.83990E-02 -0.52142E-02 327 0.385E-01 0.352E-01
DAV: 15 -0.383461501494E+03 0.28904E-02 -0.14807E-02 318 0.375E-01 0.257E-01
DAV: 16 -0.383466482814E+03 -0.49813E-02 -0.77471E-03 309 0.245E-01 0.227E-01
DAV: 17 -0.383474662743E+03 -0.81799E-02 -0.45156E-03 354 0.220E-01 0.121E-01
DAV: 18 -0.383481523204E+03 -0.68605E-02 -0.23084E-03 300 0.132E-01 0.138E-01
DAV: 19 -0.383484554687E+03 -0.30315E-02 -0.37343E-03 390 0.970E-02 0.826E-02
DAV: 20 -0.383493392160E+03 -0.88375E-02 -0.28736E-03 282 0.119E-01 0.128E-01
DAV: 21 -0.383497571130E+03 -0.41790E-02 -0.48458E-04 327 0.604E-02 0.768E-02
DAV: 22 -0.383503790565E+03 -0.62194E-02 -0.59477E-04 300 0.556E-02 0.499E-02
DAV: 23 -0.383507088974E+03 -0.32984E-02 -0.19374E-04 327 0.354E-02 0.240E-02
DAV: 24 -0.383509790544E+03 -0.27016E-02 -0.12715E-04 309 0.232E-02 0.142E-02
DAV: 25 -0.383511480658E+03 -0.16901E-02 -0.60961E-05 291 0.152E-02 0.103E-02
DAV: 26 -0.383512687143E+03 -0.12065E-02 -0.61498E-05 300 0.130E-02 0.818E-03
DAV: 27 -0.383513089228E+03 -0.40209E-03 -0.13228E-05 246 0.748E-03 0.292E-03
DAV: 28 -0.383513365252E+03 -0.27602E-03 -0.14002E-05 228 0.694E-03 0.588E-03
DAV: 29 -0.383513422970E+03 -0.57719E-04 -0.18044E-06 228 0.326E-03 0.229E-03
DAV: 30 -0.383513491142E+03 -0.68172E-04 -0.27799E-06 201 0.370E-03 0.236E-03
DAV: 31 -0.383513516071E+03 -0.24928E-04 -0.83363E-07 228 0.205E-03 0.201E-03
DAV: 32 -0.383513533854E+03 -0.17783E-04 -0.51370E-07 210 0.164E-03 0.143E-03
DAV: 33 -0.383513550378E+03 -0.16525E-04 -0.72465E-07 192 0.202E-03 0.104E-03
DAV: 34 -0.383513553721E+03 -0.33427E-05 -0.22977E-07 228 0.110E-03
1 F= -.38351355E+03 E0= -.38353021E+03 d E =0.499718E-01