./iterations/neb0_image04_iter23_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 0.144956410392E+04 0.14496E+04 -0.44201E+04 330 0.697E+02
DAV: 2 0.225319497258E+03 -0.12242E+04 -0.11496E+04 435 0.163E+02
DAV: 3 -0.362375517099E+03 -0.58770E+03 -0.58438E+03 345 0.114E+02
DAV: 4 -0.433308230457E+03 -0.70933E+02 -0.70672E+02 318 0.509E+01
DAV: 5 -0.434895655682E+03 -0.15874E+01 -0.15850E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389020954650E+03 0.45875E+02 -0.14760E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385571876104E+03 0.34491E+01 -0.13521E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384112232551E+03 0.14596E+01 -0.22596E+00 327 0.387E+00 0.435E+00
DAV: 9 -0.383571226901E+03 0.54101E+00 -0.16533E+00 327 0.243E+00 0.131E+00
DAV: 10 -0.383491705915E+03 0.79521E-01 -0.17300E-01 336 0.113E+00 0.918E-01
DAV: 11 -0.383458055893E+03 0.33650E-01 -0.89373E-02 345 0.740E-01 0.644E-01
DAV: 12 -0.383440365446E+03 0.17690E-01 -0.23463E-02 327 0.518E-01 0.684E-01
DAV: 13 -0.383431032089E+03 0.93334E-02 -0.26241E-02 354 0.364E-01 0.541E-01
DAV: 14 -0.383426910713E+03 0.41214E-02 -0.56892E-02 336 0.487E-01 0.762E-01
DAV: 15 -0.383419121888E+03 0.77888E-02 -0.30749E-02 345 0.362E-01 0.267E-01
DAV: 16 -0.383423074548E+03 -0.39527E-02 -0.76826E-03 309 0.252E-01 0.146E-01
DAV: 17 -0.383435779058E+03 -0.12705E-01 -0.11565E-02 345 0.235E-01 0.327E-01
DAV: 18 -0.383435344232E+03 0.43483E-03 -0.19564E-03 327 0.106E-01 0.171E-01
DAV: 19 -0.383444985322E+03 -0.96411E-02 -0.19361E-03 291 0.120E-01 0.169E-01
DAV: 20 -0.383451125766E+03 -0.61404E-02 -0.12058E-03 327 0.882E-02 0.605E-02
DAV: 21 -0.383458486011E+03 -0.73602E-02 -0.57038E-04 318 0.706E-02 0.383E-02
DAV: 22 -0.383463340808E+03 -0.48548E-02 -0.21713E-04 318 0.358E-02 0.245E-02
DAV: 23 -0.383467114662E+03 -0.37739E-02 -0.15500E-04 309 0.264E-02 0.295E-02
DAV: 24 -0.383468788900E+03 -0.16742E-02 -0.70663E-05 300 0.167E-02 0.882E-03
DAV: 25 -0.383470601808E+03 -0.18129E-02 -0.10186E-04 282 0.181E-02 0.113E-02
DAV: 26 -0.383471094685E+03 -0.49288E-03 -0.14378E-05 246 0.790E-03 0.551E-03
DAV: 27 -0.383471478542E+03 -0.38386E-03 -0.16427E-05 228 0.711E-03 0.392E-03
DAV: 28 -0.383471647045E+03 -0.16850E-03 -0.42718E-06 228 0.482E-03 0.333E-03
DAV: 29 -0.383471735829E+03 -0.88784E-04 -0.32901E-06 237 0.388E-03 0.158E-03
DAV: 30 -0.383471775992E+03 -0.40163E-04 -0.12865E-06 210 0.242E-03 0.116E-03
DAV: 31 -0.383471812787E+03 -0.36794E-04 -0.14552E-06 210 0.230E-03 0.111E-03
DAV: 32 -0.383471821055E+03 -0.82681E-05 -0.50665E-07 228 0.134E-03
1 F= -.38347182E+03 E0= -.38348856E+03 d E =0.502200E-01