iterations/neb0_image05_iter66_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 0.144765414193E+04 0.14477E+04 -0.44224E+04 330 0.697E+02
DAV: 2 0.230120754465E+03 -0.12175E+04 -0.11407E+04 417 0.163E+02
DAV: 3 -0.364419274407E+03 -0.59454E+03 -0.59137E+03 354 0.114E+02
DAV: 4 -0.433230758643E+03 -0.68811E+02 -0.68559E+02 309 0.496E+01
DAV: 5 -0.434786959672E+03 -0.15562E+01 -0.15534E+01 327 0.770E+00 0.427E+01
DAV: 6 -0.388817251277E+03 0.45970E+02 -0.14950E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385338866404E+03 0.34784E+01 -0.13009E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.383883969465E+03 0.14549E+01 -0.23170E+00 327 0.385E+00 0.430E+00
DAV: 9 -0.383312165752E+03 0.57180E+00 -0.79052E-01 336 0.204E+00 0.117E+00
DAV: 10 -0.383257351085E+03 0.54815E-01 -0.31559E-01 354 0.108E+00 0.835E-01
DAV: 11 -0.383229884492E+03 0.27467E-01 -0.65514E-02 336 0.475E-01 0.686E-01
DAV: 12 -0.383218625435E+03 0.11259E-01 -0.11161E-01 399 0.448E-01 0.560E-01
DAV: 13 -0.383194532325E+03 0.24093E-01 -0.50816E-02 309 0.484E-01 0.585E-01
DAV: 14 -0.383190715657E+03 0.38167E-02 -0.11629E-01 390 0.498E-01 0.487E-01
DAV: 15 -0.383190715811E+03 -0.15454E-06 -0.45051E-02 309 0.300E-01 0.201E-01
DAV: 16 -0.383200043374E+03 -0.93276E-02 -0.50202E-03 291 0.230E-01 0.162E-01
DAV: 17 -0.383210975491E+03 -0.10932E-01 -0.37666E-03 327 0.196E-01 0.803E-02
DAV: 18 -0.383219583828E+03 -0.86083E-02 -0.18052E-03 318 0.127E-01 0.508E-02
DAV: 19 -0.383226021511E+03 -0.64377E-02 -0.42733E-04 327 0.598E-02 0.484E-02
DAV: 20 -0.383232122346E+03 -0.61008E-02 -0.32210E-04 318 0.451E-02 0.339E-02
DAV: 21 -0.383239067557E+03 -0.69452E-02 -0.49338E-04 300 0.422E-02 0.217E-02
DAV: 22 -0.383241080058E+03 -0.20125E-02 -0.10880E-04 336 0.235E-02 0.190E-02
DAV: 23 -0.383242578652E+03 -0.14986E-02 -0.79129E-05 300 0.210E-02 0.103E-02
DAV: 24 -0.383243190873E+03 -0.61222E-03 -0.19171E-05 246 0.110E-02 0.749E-03
DAV: 25 -0.383243578167E+03 -0.38729E-03 -0.16917E-05 219 0.982E-03 0.647E-03
DAV: 26 -0.383243811407E+03 -0.23324E-03 -0.77753E-06 219 0.585E-03 0.276E-03
DAV: 27 -0.383243901851E+03 -0.90444E-04 -0.32473E-06 237 0.402E-03 0.227E-03
DAV: 28 -0.383243989656E+03 -0.87805E-04 -0.24838E-06 192 0.323E-03 0.123E-03
DAV: 29 -0.383244025026E+03 -0.35370E-04 -0.14750E-06 219 0.237E-03 0.792E-04
DAV: 30 -0.383244048482E+03 -0.23456E-04 -0.90570E-07 201 0.181E-03 0.456E-04
DAV: 31 -0.383244057406E+03 -0.89242E-05 -0.43751E-07 228 0.113E-03
1 F= -.38324406E+03 E0= -.38325718E+03 d E =0.393780E-01