iterations/neb0_image05_iter47_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144770382035E+04 0.14477E+04 -0.44214E+04 330 0.697E+02
DAV: 2 0.231066300780E+03 -0.12166E+04 -0.11398E+04 417 0.163E+02
DAV: 3 -0.361177529138E+03 -0.59224E+03 -0.58900E+03 345 0.114E+02
DAV: 4 -0.432745718398E+03 -0.71568E+02 -0.71322E+02 309 0.514E+01
DAV: 5 -0.434418845039E+03 -0.16731E+01 -0.16706E+01 345 0.799E+00 0.426E+01
DAV: 6 -0.388507184231E+03 0.45912E+02 -0.14893E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385055994403E+03 0.34512E+01 -0.12635E+01 354 0.774E+00 0.104E+01
DAV: 8 -0.383609435629E+03 0.14466E+01 -0.17545E+00 327 0.370E+00 0.425E+00
DAV: 9 -0.383053794681E+03 0.55564E+00 -0.93045E-01 336 0.202E+00 0.108E+00
DAV: 10 -0.382986404777E+03 0.67390E-01 -0.10041E-01 336 0.918E-01 0.757E-01
DAV: 11 -0.382955276170E+03 0.31129E-01 -0.67497E-02 354 0.556E-01 0.665E-01
DAV: 12 -0.382939023765E+03 0.16252E-01 -0.17061E-02 372 0.440E-01 0.660E-01
DAV: 13 -0.382927953466E+03 0.11070E-01 -0.14571E-01 327 0.475E-01 0.755E-01
DAV: 14 -0.382919321857E+03 0.86316E-02 -0.10201E-02 318 0.250E-01 0.229E-01
DAV: 15 -0.382921988257E+03 -0.26664E-02 -0.10828E-02 300 0.262E-01 0.238E-01
DAV: 16 -0.382929280567E+03 -0.72923E-02 -0.54768E-03 354 0.205E-01 0.145E-01
DAV: 17 -0.382935299096E+03 -0.60185E-02 -0.16471E-03 282 0.146E-01 0.111E-01
DAV: 18 -0.382947866109E+03 -0.12567E-01 -0.32890E-03 318 0.158E-01 0.112E-01
DAV: 19 -0.382954531236E+03 -0.66651E-02 -0.12520E-03 336 0.998E-02 0.427E-02
DAV: 20 -0.382960941980E+03 -0.64107E-02 -0.46134E-04 315 0.557E-02 0.336E-02
DAV: 21 -0.382966117702E+03 -0.51757E-02 -0.23366E-04 318 0.340E-02 0.311E-02
DAV: 22 -0.382970752052E+03 -0.46344E-02 -0.29633E-04 318 0.338E-02 0.211E-02
DAV: 23 -0.382972653139E+03 -0.19011E-02 -0.99158E-05 309 0.193E-02 0.166E-02
DAV: 24 -0.382973653084E+03 -0.99994E-03 -0.42310E-05 300 0.136E-02 0.765E-03
DAV: 25 -0.382974310421E+03 -0.65734E-03 -0.26371E-05 246 0.100E-02 0.541E-03
DAV: 26 -0.382974616454E+03 -0.30603E-03 -0.82981E-06 219 0.553E-03 0.337E-03
DAV: 27 -0.382974777982E+03 -0.16153E-03 -0.63618E-06 210 0.489E-03 0.208E-03
DAV: 28 -0.382974847644E+03 -0.69662E-04 -0.29715E-06 228 0.395E-03 0.233E-03
DAV: 29 -0.382974873577E+03 -0.25933E-04 -0.13979E-06 219 0.264E-03 0.157E-03
DAV: 30 -0.382974900709E+03 -0.27133E-04 -0.12981E-06 201 0.256E-03 0.113E-03
DAV: 31 -0.382974913217E+03 -0.12507E-04 -0.56840E-07 219 0.169E-03 0.651E-04
DAV: 32 -0.382974920176E+03 -0.69592E-05 -0.35133E-07 210 0.117E-03
1 F= -.38297492E+03 E0= -.38299177E+03 d E =0.505444E-01