iterations/neb0_image03_iter1_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 0.144872902965E+04 0.14487E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224731146851E+03 -0.12240E+04 -0.11483E+04 435 0.163E+02
DAV: 3 -0.362415564236E+03 -0.58715E+03 -0.58348E+03 345 0.114E+02
DAV: 4 -0.433365337086E+03 -0.70950E+02 -0.70717E+02 309 0.508E+01
DAV: 5 -0.434956184966E+03 -0.15908E+01 -0.15881E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389045544550E+03 0.45911E+02 -0.14789E+02 318 0.285E+01 0.208E+01
DAV: 7 -0.385604015117E+03 0.34415E+01 -0.13764E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384136433765E+03 0.14676E+01 -0.21605E+00 336 0.385E+00 0.435E+00
DAV: 9 -0.383596753894E+03 0.53968E+00 -0.17337E+00 336 0.245E+00 0.138E+00
DAV: 10 -0.383523927534E+03 0.72826E-01 -0.26694E-01 327 0.116E+00 0.104E+00
DAV: 11 -0.383504541434E+03 0.19386E-01 -0.30452E-01 336 0.667E-01 0.990E-01
DAV: 12 -0.383480336839E+03 0.24205E-01 -0.24698E-01 336 0.729E-01 0.955E-01
DAV: 13 -0.383461088505E+03 0.19248E-01 -0.15339E-01 363 0.559E-01 0.644E-01
DAV: 14 -0.383449970532E+03 0.11118E-01 -0.25685E-02 327 0.377E-01 0.334E-01
DAV: 15 -0.383447050570E+03 0.29200E-02 -0.15799E-02 309 0.400E-01 0.201E-01
DAV: 16 -0.383451854120E+03 -0.48035E-02 -0.57296E-03 327 0.238E-01 0.194E-01
DAV: 17 -0.383459638809E+03 -0.77847E-02 -0.30336E-03 291 0.174E-01 0.139E-01
DAV: 18 -0.383467595161E+03 -0.79564E-02 -0.24409E-03 354 0.158E-01 0.110E-01
DAV: 19 -0.383473616763E+03 -0.60216E-02 -0.20750E-03 354 0.144E-01 0.114E-01
DAV: 20 -0.383480834254E+03 -0.72175E-02 -0.30809E-03 363 0.133E-01 0.166E-01
DAV: 21 -0.383481449795E+03 -0.61554E-03 -0.13065E-03 327 0.748E-02 0.805E-02
DAV: 22 -0.383483906171E+03 -0.24564E-02 -0.45872E-04 300 0.461E-02 0.758E-02
DAV: 23 -0.383488970887E+03 -0.50647E-02 -0.91952E-04 300 0.517E-02 0.657E-02
DAV: 24 -0.383491592933E+03 -0.26220E-02 -0.18198E-04 318 0.340E-02 0.401E-02
DAV: 25 -0.383494902582E+03 -0.33096E-02 -0.23201E-04 300 0.322E-02 0.248E-02
DAV: 26 -0.383496254143E+03 -0.13516E-02 -0.84303E-05 318 0.200E-02 0.276E-02
DAV: 27 -0.383497093825E+03 -0.83968E-03 -0.47767E-05 309 0.187E-02 0.224E-02
DAV: 28 -0.383497654957E+03 -0.56113E-03 -0.22168E-05 255 0.117E-02 0.161E-02
DAV: 29 -0.383498021802E+03 -0.36684E-03 -0.22955E-05 282 0.999E-03 0.656E-03
DAV: 30 -0.383498163004E+03 -0.14120E-03 -0.59103E-06 237 0.628E-03 0.385E-03
DAV: 31 -0.383498282755E+03 -0.11975E-03 -0.60684E-06 201 0.491E-03 0.747E-03
DAV: 32 -0.383498330452E+03 -0.47698E-04 -0.19953E-06 228 0.331E-03 0.560E-03
DAV: 33 -0.383498361790E+03 -0.31337E-04 -0.15601E-06 219 0.271E-03 0.333E-03
DAV: 34 -0.383498380725E+03 -0.18935E-04 -0.13252E-06 219 0.240E-03 0.122E-03
DAV: 35 -0.383498394775E+03 -0.14051E-04 -0.11306E-06 219 0.208E-03 0.165E-03
DAV: 36 -0.383498400328E+03 -0.55530E-05 -0.34980E-07 228 0.123E-03
1 F= -.38349840E+03 E0= -.38351514E+03 d E =0.502076E-01