./iterations/neb0_image06_iter2_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 0.145079950502E+04 0.14508E+04 -0.44220E+04 330 0.697E+02
DAV: 2 0.227851803014E+03 -0.12229E+04 -0.11471E+04 426 0.163E+02
DAV: 3 -0.365048953585E+03 -0.59290E+03 -0.58963E+03 354 0.114E+02
DAV: 4 -0.432995123385E+03 -0.67946E+02 -0.67689E+02 318 0.491E+01
DAV: 5 -0.434480233869E+03 -0.14851E+01 -0.14827E+01 318 0.758E+00 0.426E+01
DAV: 6 -0.388741603982E+03 0.45739E+02 -0.14810E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385312488249E+03 0.34291E+01 -0.13306E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.383868119244E+03 0.14444E+01 -0.23929E+00 336 0.390E+00 0.435E+00
DAV: 9 -0.383317668670E+03 0.55045E+00 -0.12712E+00 336 0.237E+00 0.123E+00
DAV: 10 -0.383236345303E+03 0.81323E-01 -0.16074E-01 327 0.112E+00 0.876E-01
DAV: 11 -0.383220148560E+03 0.16197E-01 -0.80691E-02 327 0.777E-01 0.916E-01
DAV: 12 -0.383195265207E+03 0.24883E-01 -0.10336E-01 336 0.584E-01 0.554E-01
DAV: 13 -0.383190739015E+03 0.45262E-02 -0.10060E-01 318 0.431E-01 0.832E-01
DAV: 14 -0.383174760652E+03 0.15978E-01 -0.14427E-01 345 0.435E-01 0.352E-01
DAV: 15 -0.383173098567E+03 0.16621E-02 -0.11698E-02 309 0.340E-01 0.232E-01
DAV: 16 -0.383182944431E+03 -0.98459E-02 -0.72505E-03 300 0.269E-01 0.245E-01
DAV: 17 -0.383194334517E+03 -0.11390E-01 -0.45294E-03 372 0.246E-01 0.209E-01
DAV: 18 -0.383203271522E+03 -0.89370E-02 -0.25357E-03 309 0.145E-01 0.123E-01
DAV: 19 -0.383208344896E+03 -0.50734E-02 -0.55721E-04 327 0.581E-02 0.127E-01
DAV: 20 -0.383213632507E+03 -0.52876E-02 -0.50933E-04 291 0.437E-02 0.462E-02
DAV: 21 -0.383220523357E+03 -0.68909E-02 -0.57873E-04 318 0.548E-02 0.299E-02
DAV: 22 -0.383222636281E+03 -0.21129E-02 -0.10686E-04 336 0.285E-02 0.203E-02
DAV: 23 -0.383224852491E+03 -0.22162E-02 -0.10259E-04 291 0.222E-02 0.415E-02
DAV: 24 -0.383226333498E+03 -0.14810E-02 -0.78298E-05 291 0.197E-02 0.184E-02
DAV: 25 -0.383226975700E+03 -0.64220E-03 -0.51304E-05 309 0.158E-02 0.810E-03
DAV: 26 -0.383227037680E+03 -0.61980E-04 -0.42160E-06 255 0.587E-03 0.569E-03
DAV: 27 -0.383227202176E+03 -0.16450E-03 -0.32586E-06 210 0.505E-03 0.841E-03
DAV: 28 -0.383227417771E+03 -0.21559E-03 -0.71876E-06 210 0.644E-03 0.286E-03
DAV: 29 -0.383227485864E+03 -0.68093E-04 -0.48372E-06 237 0.487E-03 0.207E-03
DAV: 30 -0.383227526535E+03 -0.40671E-04 -0.16131E-06 210 0.349E-03 0.159E-03
DAV: 31 -0.383227553037E+03 -0.26502E-04 -0.12984E-06 210 0.342E-03 0.207E-03
DAV: 32 -0.383227580306E+03 -0.27269E-04 -0.31302E-06 210 0.541E-03 0.181E-03
DAV: 33 -0.383227581891E+03 -0.15857E-05 -0.20980E-06 228 0.330E-03
1 F= -.38322758E+03 E0= -.38324125E+03 d E =0.409904E-01