iterations/neb0_image01_iter19_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 0.144731697851E+04 0.14473E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224165997682E+03 -0.12232E+04 -0.11460E+04 435 0.163E+02
DAV: 3 -0.363097842219E+03 -0.58726E+03 -0.58383E+03 345 0.114E+02
DAV: 4 -0.433524639773E+03 -0.70427E+02 -0.70151E+02 318 0.508E+01
DAV: 5 -0.435096694499E+03 -0.15721E+01 -0.15696E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389102836471E+03 0.45994E+02 -0.14809E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385629570821E+03 0.34733E+01 -0.13531E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384152273524E+03 0.14773E+01 -0.21242E+00 327 0.382E+00 0.433E+00
DAV: 9 -0.383609498381E+03 0.54278E+00 -0.17161E+00 336 0.242E+00 0.137E+00
DAV: 10 -0.383539684417E+03 0.69814E-01 -0.28296E-01 318 0.113E+00 0.105E+00
DAV: 11 -0.383519480395E+03 0.20204E-01 -0.29022E-01 354 0.643E-01 0.995E-01
DAV: 12 -0.383493459215E+03 0.26021E-01 -0.22930E-01 327 0.702E-01 0.929E-01
DAV: 13 -0.383476691043E+03 0.16768E-01 -0.18159E-01 363 0.546E-01 0.677E-01
DAV: 14 -0.383464353064E+03 0.12338E-01 -0.20974E-02 354 0.384E-01 0.331E-01
DAV: 15 -0.383461756657E+03 0.25964E-02 -0.13368E-02 309 0.382E-01 0.195E-01
DAV: 16 -0.383467843468E+03 -0.60868E-02 -0.62401E-03 327 0.249E-01 0.195E-01
DAV: 17 -0.383475631835E+03 -0.77884E-02 -0.29386E-03 309 0.184E-01 0.169E-01
DAV: 18 -0.383482053749E+03 -0.64219E-02 -0.28033E-03 354 0.160E-01 0.121E-01
DAV: 19 -0.383490931184E+03 -0.88774E-02 -0.38003E-03 354 0.144E-01 0.158E-01
DAV: 20 -0.383490339124E+03 0.59206E-03 -0.30871E-03 327 0.813E-02 0.904E-02
DAV: 21 -0.383497350910E+03 -0.70118E-02 -0.66000E-04 300 0.718E-02 0.858E-02
DAV: 22 -0.383502024174E+03 -0.46733E-02 -0.61985E-04 327 0.554E-02 0.445E-02
DAV: 23 -0.383505797099E+03 -0.37729E-02 -0.21435E-04 309 0.386E-02 0.447E-02
DAV: 24 -0.383509624724E+03 -0.38276E-02 -0.20725E-04 309 0.342E-02 0.385E-02
DAV: 25 -0.383511095038E+03 -0.14703E-02 -0.77723E-05 318 0.195E-02 0.262E-02
DAV: 26 -0.383511895408E+03 -0.80037E-03 -0.54591E-05 318 0.160E-02 0.125E-02
DAV: 27 -0.383512956966E+03 -0.10616E-02 -0.56113E-05 318 0.149E-02 0.163E-02
DAV: 28 -0.383513482968E+03 -0.52600E-03 -0.25689E-05 255 0.103E-02 0.112E-02
DAV: 29 -0.383513655011E+03 -0.17204E-03 -0.10530E-05 255 0.769E-03 0.453E-03
DAV: 30 -0.383513773131E+03 -0.11812E-03 -0.45284E-06 192 0.479E-03 0.198E-03
DAV: 31 -0.383513864295E+03 -0.91163E-04 -0.31192E-06 228 0.345E-03 0.227E-03
DAV: 32 -0.383513900600E+03 -0.36305E-04 -0.14911E-06 219 0.265E-03 0.161E-03
DAV: 33 -0.383513927478E+03 -0.26878E-04 -0.13044E-06 219 0.231E-03 0.229E-03
DAV: 34 -0.383513939940E+03 -0.12462E-04 -0.59882E-07 219 0.178E-03 0.139E-03
DAV: 35 -0.383513949720E+03 -0.97793E-05 -0.60947E-07 219 0.152E-03
1 F= -.38351395E+03 E0= -.38353061E+03 d E =0.499681E-01