iterations/neb0_image05_iter43_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 0.144780800118E+04 0.14478E+04 -0.44220E+04 330 0.697E+02
DAV: 2 0.231135006846E+03 -0.12167E+04 -0.11394E+04 417 0.163E+02
DAV: 3 -0.361273131521E+03 -0.59241E+03 -0.58918E+03 345 0.114E+02
DAV: 4 -0.432795476452E+03 -0.71522E+02 -0.71276E+02 309 0.514E+01
DAV: 5 -0.434455563547E+03 -0.16601E+01 -0.16571E+01 336 0.798E+00 0.426E+01
DAV: 6 -0.388642497485E+03 0.45813E+02 -0.14737E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385184973278E+03 0.34575E+01 -0.13282E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.383731777760E+03 0.14532E+01 -0.21684E+00 327 0.381E+00 0.431E+00
DAV: 9 -0.383176758910E+03 0.55502E+00 -0.11898E+00 345 0.225E+00 0.116E+00
DAV: 10 -0.383125107896E+03 0.51651E-01 -0.36286E-01 336 0.106E+00 0.916E-01
DAV: 11 -0.383087953451E+03 0.37154E-01 -0.59173E-02 327 0.546E-01 0.746E-01
DAV: 12 -0.383073601532E+03 0.14352E-01 -0.57637E-02 345 0.704E-01 0.124E+00
DAV: 13 -0.383053085609E+03 0.20516E-01 -0.28011E-01 354 0.518E-01 0.681E-01
DAV: 14 -0.383040721391E+03 0.12364E-01 -0.13541E-02 318 0.336E-01 0.292E-01
DAV: 15 -0.383041289228E+03 -0.56784E-03 -0.16852E-02 309 0.369E-01 0.409E-01
DAV: 16 -0.383043123624E+03 -0.18344E-02 -0.66727E-03 327 0.246E-01 0.217E-01
DAV: 17 -0.383051199547E+03 -0.80759E-02 -0.31963E-03 291 0.167E-01 0.111E-01
DAV: 18 -0.383061748182E+03 -0.10549E-01 -0.20348E-03 309 0.139E-01 0.776E-02
DAV: 19 -0.383070867963E+03 -0.91198E-02 -0.17013E-03 327 0.121E-01 0.115E-01
DAV: 20 -0.383079250047E+03 -0.83821E-02 -0.97296E-04 309 0.898E-02 0.513E-02
DAV: 21 -0.383082656950E+03 -0.34069E-02 -0.22817E-04 327 0.367E-02 0.415E-02
DAV: 22 -0.383085871293E+03 -0.32143E-02 -0.16329E-04 300 0.333E-02 0.203E-02
DAV: 23 -0.383089296439E+03 -0.34251E-02 -0.19308E-04 309 0.284E-02 0.214E-02
DAV: 24 -0.383090730371E+03 -0.14339E-02 -0.50726E-05 291 0.164E-02 0.131E-02
DAV: 25 -0.383091758622E+03 -0.10283E-02 -0.53693E-05 300 0.156E-02 0.828E-03
DAV: 26 -0.383092185993E+03 -0.42737E-03 -0.93341E-06 237 0.808E-03 0.515E-03
DAV: 27 -0.383092534737E+03 -0.34874E-03 -0.20124E-05 228 0.933E-03 0.670E-03
DAV: 28 -0.383092621109E+03 -0.86372E-04 -0.26128E-06 228 0.553E-03 0.311E-03
DAV: 29 -0.383092711929E+03 -0.90820E-04 -0.40922E-06 192 0.497E-03 0.183E-03
DAV: 30 -0.383092769869E+03 -0.57939E-04 -0.15125E-06 219 0.269E-03 0.189E-03
DAV: 31 -0.383092806123E+03 -0.36254E-04 -0.11087E-06 210 0.224E-03 0.109E-03
DAV: 32 -0.383092821184E+03 -0.15062E-04 -0.94258E-07 219 0.240E-03 0.779E-04
DAV: 33 -0.383092827444E+03 -0.62596E-05 -0.31333E-07 228 0.122E-03
1 F= -.38309283E+03 E0= -.38310945E+03 d E =0.498825E-01