iterations/neb0_image07_iter21_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 0.145169374244E+04 0.14517E+04 -0.44239E+04 330 0.697E+02
DAV: 2 0.228372487260E+03 -0.12233E+04 -0.11473E+04 426 0.163E+02
DAV: 3 -0.361341362246E+03 -0.58971E+03 -0.58626E+03 345 0.114E+02
DAV: 4 -0.432940761862E+03 -0.71599E+02 -0.71332E+02 318 0.511E+01
DAV: 5 -0.434558612490E+03 -0.16179E+01 -0.16152E+01 318 0.791E+00 0.426E+01
DAV: 6 -0.388762821434E+03 0.45796E+02 -0.14743E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385302024436E+03 0.34608E+01 -0.12996E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.383840223166E+03 0.14618E+01 -0.18094E+00 345 0.379E+00 0.426E+00
DAV: 9 -0.383299116182E+03 0.54111E+00 -0.98053E-01 336 0.210E+00 0.104E+00
DAV: 10 -0.383243809027E+03 0.55307E-01 -0.16403E-01 336 0.960E-01 0.865E-01
DAV: 11 -0.383217658128E+03 0.26151E-01 -0.13242E-01 318 0.560E-01 0.830E-01
DAV: 12 -0.383204117655E+03 0.13540E-01 -0.76328E-02 399 0.655E-01 0.101E+00
DAV: 13 -0.383179764039E+03 0.24354E-01 -0.15869E-01 363 0.500E-01 0.427E-01
DAV: 14 -0.383172608599E+03 0.71554E-02 -0.49127E-02 309 0.403E-01 0.453E-01
DAV: 15 -0.383171463383E+03 0.11452E-02 -0.27992E-02 318 0.337E-01 0.217E-01
DAV: 16 -0.383176739909E+03 -0.52765E-02 -0.53622E-03 318 0.236E-01 0.239E-01
DAV: 17 -0.383189313445E+03 -0.12574E-01 -0.10259E-02 291 0.248E-01 0.116E-01
DAV: 18 -0.383197275972E+03 -0.79625E-02 -0.27758E-03 327 0.152E-01 0.113E-01
DAV: 19 -0.383203858469E+03 -0.65825E-02 -0.72640E-04 327 0.760E-02 0.781E-02
DAV: 20 -0.383210885788E+03 -0.70273E-02 -0.42079E-04 309 0.469E-02 0.377E-02
DAV: 21 -0.383216310097E+03 -0.54243E-02 -0.42143E-04 345 0.412E-02 0.357E-02
DAV: 22 -0.383220219332E+03 -0.39092E-02 -0.24982E-04 309 0.304E-02 0.172E-02
DAV: 23 -0.383222254624E+03 -0.20353E-02 -0.10793E-04 309 0.190E-02 0.107E-02
DAV: 24 -0.383223225801E+03 -0.97118E-03 -0.39337E-05 264 0.117E-02 0.570E-03
DAV: 25 -0.383223701140E+03 -0.47534E-03 -0.12557E-05 228 0.787E-03 0.497E-03
DAV: 26 -0.383224021199E+03 -0.32006E-03 -0.16785E-05 237 0.652E-03 0.230E-03
DAV: 27 -0.383224102928E+03 -0.81729E-04 -0.20454E-06 237 0.405E-03 0.160E-03
DAV: 28 -0.383224184144E+03 -0.81216E-04 -0.32793E-06 192 0.412E-03 0.164E-03
DAV: 29 -0.383224194012E+03 -0.98684E-05 -0.76137E-07 228 0.216E-03
1 F= -.38322419E+03 E0= -.38323751E+03 d E =0.399339E-01