iterations/neb0_image08_iter26_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.150759129887E+04 0.15076E+04 -0.43546E+04 322 0.697E+02
DAV: 2 0.251799883230E+03 -0.12558E+04 -0.11786E+04 420 0.164E+02
DAV: 3 -0.357694260211E+03 -0.60949E+03 -0.60500E+03 356 0.117E+02
DAV: 4 -0.432726639507E+03 -0.75032E+02 -0.74689E+02 316 0.516E+01
DAV: 5 -0.434451929983E+03 -0.17253E+01 -0.17223E+01 332 0.796E+00 0.426E+01
DAV: 6 -0.388637310897E+03 0.45815E+02 -0.14935E+02 316 0.285E+01 0.208E+01
DAV: 7 -0.385152216288E+03 0.34851E+01 -0.12417E+01 332 0.769E+00 0.104E+01
DAV: 8 -0.383729263215E+03 0.14230E+01 -0.23566E+00 332 0.391E+00 0.426E+00
DAV: 9 -0.383178206419E+03 0.55106E+00 -0.60940E-01 324 0.192E+00 0.945E-01
DAV: 10 -0.383124629588E+03 0.53577E-01 -0.11867E-01 340 0.903E-01 0.702E-01
DAV: 11 -0.383101919642E+03 0.22710E-01 -0.38068E-02 340 0.481E-01 0.545E-01
DAV: 12 -0.383093093980E+03 0.88257E-02 -0.65376E-02 380 0.374E-01 0.471E-01
DAV: 13 -0.383089434201E+03 0.36598E-02 -0.13685E-01 324 0.459E-01 0.829E-01
DAV: 14 -0.383080486752E+03 0.89474E-02 -0.44776E-02 316 0.222E-01 0.324E-01
DAV: 15 -0.383086387209E+03 -0.59005E-02 -0.11567E-02 292 0.254E-01 0.325E-01
DAV: 16 -0.383093059611E+03 -0.66724E-02 -0.38839E-03 324 0.176E-01 0.132E-01
DAV: 17 -0.383103606441E+03 -0.10547E-01 -0.38631E-03 300 0.142E-01 0.131E-01
DAV: 18 -0.383116635913E+03 -0.13029E-01 -0.32805E-03 292 0.153E-01 0.756E-02
DAV: 19 -0.383122475178E+03 -0.58393E-02 -0.14481E-03 324 0.947E-02 0.600E-02
DAV: 20 -0.383126599957E+03 -0.41248E-02 -0.31728E-04 324 0.434E-02 0.499E-02
DAV: 21 -0.383132801827E+03 -0.62019E-02 -0.39005E-04 300 0.435E-02 0.232E-02
DAV: 22 -0.383135720716E+03 -0.29189E-02 -0.14406E-04 308 0.272E-02 0.175E-02
DAV: 23 -0.383137893134E+03 -0.21724E-02 -0.10643E-04 300 0.236E-02 0.111E-02
DAV: 24 -0.383139180093E+03 -0.12870E-02 -0.69220E-05 308 0.199E-02 0.841E-03
DAV: 25 -0.383139573512E+03 -0.39342E-03 -0.24077E-05 268 0.146E-02 0.945E-03
DAV: 26 -0.383139662891E+03 -0.89379E-04 -0.67777E-06 244 0.754E-03 0.830E-03
DAV: 27 -0.383139753112E+03 -0.90221E-04 -0.37841E-06 204 0.597E-03 0.828E-03
DAV: 28 -0.383139711399E+03 0.41713E-04 -0.20876E-06 204 0.506E-03 0.913E-03
DAV: 29 -0.383139737081E+03 -0.25683E-04 -0.10695E-06 220 0.245E-03 0.863E-03
DAV: 30 -0.383139773020E+03 -0.35938E-04 -0.24869E-05 252 0.185E-02 0.725E-03
DAV: 31 -0.383139922376E+03 -0.14936E-03 -0.60473E-05 300 0.198E-02 0.136E-02
DAV: 32 -0.383139938460E+03 -0.16085E-04 -0.12318E-05 268 0.850E-03 0.158E-02
DAV: 33 -0.383139931429E+03 0.70312E-05 -0.12898E-06 220 0.441E-03
1 F= -.38313993E+03 E0= -.38315439E+03 d E =0.433817E-01