iterations/neb0_image05_iter64_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 0.144803955998E+04 0.14480E+04 -0.44226E+04 330 0.697E+02
DAV: 2 0.230330466336E+03 -0.12177E+04 -0.11407E+04 417 0.163E+02
DAV: 3 -0.364431554538E+03 -0.59476E+03 -0.59160E+03 354 0.114E+02
DAV: 4 -0.433291464046E+03 -0.68860E+02 -0.68607E+02 309 0.496E+01
DAV: 5 -0.434848482897E+03 -0.15570E+01 -0.15542E+01 336 0.770E+00 0.427E+01
DAV: 6 -0.388823414545E+03 0.46025E+02 -0.14966E+02 309 0.286E+01 0.209E+01
DAV: 7 -0.385358703758E+03 0.34647E+01 -0.13281E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.383892109636E+03 0.14666E+01 -0.22787E+00 327 0.383E+00 0.437E+00
DAV: 9 -0.383340618269E+03 0.55149E+00 -0.14045E+00 345 0.236E+00 0.131E+00
DAV: 10 -0.383274331882E+03 0.66286E-01 -0.28930E-01 336 0.112E+00 0.940E-01
DAV: 11 -0.383247124181E+03 0.27208E-01 -0.64518E-02 336 0.595E-01 0.705E-01
DAV: 12 -0.383227779470E+03 0.19345E-01 -0.10721E-01 345 0.508E-01 0.697E-01
DAV: 13 -0.383210768965E+03 0.17011E-01 -0.56276E-02 372 0.559E-01 0.893E-01
DAV: 14 -0.383201750958E+03 0.90180E-02 -0.79156E-02 336 0.381E-01 0.409E-01
DAV: 15 -0.383199061851E+03 0.26891E-02 -0.11507E-02 300 0.318E-01 0.201E-01
DAV: 16 -0.383202686375E+03 -0.36245E-02 -0.83045E-03 318 0.276E-01 0.145E-01
DAV: 17 -0.383209303288E+03 -0.66169E-02 -0.33949E-03 309 0.176E-01 0.198E-01
DAV: 18 -0.383223131974E+03 -0.13829E-01 -0.34532E-03 300 0.183E-01 0.139E-01
DAV: 19 -0.383230147069E+03 -0.70151E-02 -0.16154E-03 327 0.123E-01 0.608E-02
DAV: 20 -0.383234705874E+03 -0.45588E-02 -0.67946E-04 327 0.764E-02 0.557E-02
DAV: 21 -0.383240461136E+03 -0.57553E-02 -0.31158E-04 318 0.481E-02 0.356E-02
DAV: 22 -0.383243471376E+03 -0.30102E-02 -0.97859E-05 327 0.262E-02 0.227E-02
DAV: 23 -0.383247913520E+03 -0.44421E-02 -0.31986E-04 291 0.381E-02 0.130E-02
DAV: 24 -0.383249286274E+03 -0.13728E-02 -0.48297E-05 300 0.167E-02 0.831E-03
DAV: 25 -0.383250235804E+03 -0.94953E-03 -0.58011E-05 300 0.180E-02 0.874E-03
DAV: 26 -0.383250858900E+03 -0.62310E-03 -0.24191E-05 246 0.137E-02 0.580E-03
DAV: 27 -0.383251064347E+03 -0.20545E-03 -0.10833E-05 237 0.741E-03 0.310E-03
DAV: 28 -0.383251205874E+03 -0.14153E-03 -0.41525E-06 192 0.386E-03 0.245E-03
DAV: 29 -0.383251299163E+03 -0.93289E-04 -0.37298E-06 210 0.534E-03 0.104E-03
DAV: 30 -0.383251329179E+03 -0.30016E-04 -0.25752E-06 219 0.386E-03 0.253E-03
DAV: 31 -0.383251342623E+03 -0.13444E-04 -0.72978E-07 210 0.178E-03 0.220E-03
DAV: 32 -0.383251356819E+03 -0.14196E-04 -0.14107E-06 210 0.395E-03 0.703E-04
DAV: 33 -0.383251360500E+03 -0.36810E-05 -0.48318E-07 228 0.184E-03
1 F= -.38325136E+03 E0= -.38326818E+03 d E =0.504683E-01