iterations/neb0_image04_iter47_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 0.144815046309E+04 0.14482E+04 -0.44206E+04 330 0.697E+02
DAV: 2 0.227563195325E+03 -0.12206E+04 -0.11442E+04 426 0.163E+02
DAV: 3 -0.364998398648E+03 -0.59256E+03 -0.58923E+03 354 0.114E+02
DAV: 4 -0.433349995488E+03 -0.68352E+02 -0.68109E+02 309 0.495E+01
DAV: 5 -0.434877504574E+03 -0.15275E+01 -0.15250E+01 318 0.762E+00 0.426E+01
DAV: 6 -0.388986257320E+03 0.45891E+02 -0.14855E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385523099923E+03 0.34632E+01 -0.13158E+01 345 0.775E+00 0.104E+01
DAV: 8 -0.384035081345E+03 0.14880E+01 -0.18041E+00 336 0.377E+00 0.424E+00
DAV: 9 -0.383495466181E+03 0.53962E+00 -0.98133E-01 336 0.206E+00 0.101E+00
DAV: 10 -0.383435688125E+03 0.59778E-01 -0.11317E-01 327 0.881E-01 0.864E-01
DAV: 11 -0.383409950221E+03 0.25738E-01 -0.14280E-01 345 0.624E-01 0.773E-01
DAV: 12 -0.383387013202E+03 0.22937E-01 -0.49565E-02 327 0.448E-01 0.740E-01
DAV: 13 -0.383378318748E+03 0.86945E-02 -0.14961E-01 363 0.433E-01 0.475E-01
DAV: 14 -0.383366586019E+03 0.11733E-01 -0.15961E-02 318 0.418E-01 0.385E-01
DAV: 15 -0.383368764644E+03 -0.21786E-02 -0.21669E-02 327 0.301E-01 0.170E-01
DAV: 16 -0.383376643757E+03 -0.78791E-02 -0.57101E-03 291 0.262E-01 0.144E-01
DAV: 17 -0.383387215328E+03 -0.10572E-01 -0.67749E-03 363 0.244E-01 0.212E-01
DAV: 18 -0.383389720980E+03 -0.25057E-02 -0.23284E-03 309 0.117E-01 0.172E-01
DAV: 19 -0.383394036458E+03 -0.43155E-02 -0.11741E-03 318 0.704E-02 0.142E-01
DAV: 20 -0.383401698413E+03 -0.76620E-02 -0.11692E-03 318 0.679E-02 0.867E-02
DAV: 21 -0.383406279382E+03 -0.45810E-02 -0.46774E-04 336 0.553E-02 0.348E-02
DAV: 22 -0.383412543993E+03 -0.62646E-02 -0.46571E-04 291 0.446E-02 0.477E-02
DAV: 23 -0.383415924052E+03 -0.33801E-02 -0.20072E-04 327 0.271E-02 0.305E-02
DAV: 24 -0.383417921422E+03 -0.19974E-02 -0.12274E-04 300 0.235E-02 0.163E-02
DAV: 25 -0.383418402053E+03 -0.48063E-03 -0.22384E-05 300 0.101E-02 0.127E-02
DAV: 26 -0.383418911039E+03 -0.50899E-03 -0.15428E-05 237 0.823E-03 0.784E-03
DAV: 27 -0.383419379551E+03 -0.46851E-03 -0.22159E-05 273 0.874E-03 0.742E-03
DAV: 28 -0.383419494265E+03 -0.11471E-03 -0.35738E-06 237 0.438E-03 0.380E-03
DAV: 29 -0.383419625302E+03 -0.13104E-03 -0.64798E-06 210 0.493E-03 0.369E-03
DAV: 30 -0.383419636603E+03 -0.11302E-04 -0.87727E-07 237 0.250E-03 0.194E-03
DAV: 31 -0.383419668532E+03 -0.31928E-04 -0.10928E-06 219 0.276E-03 0.974E-04
DAV: 32 -0.383419682056E+03 -0.13524E-04 -0.45855E-07 228 0.148E-03 0.896E-04
DAV: 33 -0.383419691693E+03 -0.96367E-05 -0.25318E-07 228 0.123E-03
1 F= -.38341969E+03 E0= -.38343655E+03 d E =0.505739E-01