iterations/neb0_image03_iter2_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 0.144873015160E+04 0.14487E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224731611253E+03 -0.12240E+04 -0.11483E+04 435 0.163E+02
DAV: 3 -0.362415791053E+03 -0.58715E+03 -0.58348E+03 345 0.114E+02
DAV: 4 -0.433365580684E+03 -0.70950E+02 -0.70717E+02 309 0.508E+01
DAV: 5 -0.434956432762E+03 -0.15909E+01 -0.15881E+01 318 0.783E+00 0.426E+01
DAV: 6 -0.389045615526E+03 0.45911E+02 -0.14789E+02 318 0.285E+01 0.208E+01
DAV: 7 -0.385604009149E+03 0.34416E+01 -0.13763E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384136397918E+03 0.14676E+01 -0.21594E+00 336 0.385E+00 0.435E+00
DAV: 9 -0.383596723598E+03 0.53967E+00 -0.17330E+00 336 0.245E+00 0.138E+00
DAV: 10 -0.383524072054E+03 0.72652E-01 -0.26893E-01 327 0.116E+00 0.104E+00
DAV: 11 -0.383504593950E+03 0.19478E-01 -0.30501E-01 336 0.667E-01 0.990E-01
DAV: 12 -0.383480282348E+03 0.24312E-01 -0.24573E-01 336 0.729E-01 0.953E-01
DAV: 13 -0.383461124578E+03 0.19158E-01 -0.15337E-01 363 0.559E-01 0.644E-01
DAV: 14 -0.383449971122E+03 0.11153E-01 -0.25743E-02 327 0.377E-01 0.333E-01
DAV: 15 -0.383447070381E+03 0.29007E-02 -0.15731E-02 309 0.400E-01 0.201E-01
DAV: 16 -0.383451901071E+03 -0.48307E-02 -0.57229E-03 327 0.237E-01 0.194E-01
DAV: 17 -0.383459700902E+03 -0.77998E-02 -0.30316E-03 291 0.174E-01 0.139E-01
DAV: 18 -0.383467642097E+03 -0.79412E-02 -0.24416E-03 354 0.157E-01 0.110E-01
DAV: 19 -0.383473635217E+03 -0.59931E-02 -0.20644E-03 354 0.143E-01 0.114E-01
DAV: 20 -0.383480826200E+03 -0.71910E-02 -0.30519E-03 363 0.133E-01 0.165E-01
DAV: 21 -0.383481497140E+03 -0.67094E-03 -0.12677E-03 318 0.746E-02 0.814E-02
DAV: 22 -0.383483911323E+03 -0.24142E-02 -0.48864E-04 300 0.471E-02 0.758E-02
DAV: 23 -0.383488906583E+03 -0.49953E-02 -0.91740E-04 300 0.515E-02 0.664E-02
DAV: 24 -0.383491606350E+03 -0.26998E-02 -0.19053E-04 318 0.344E-02 0.400E-02
DAV: 25 -0.383494921928E+03 -0.33156E-02 -0.23187E-04 300 0.326E-02 0.251E-02
DAV: 26 -0.383496243903E+03 -0.13220E-02 -0.85152E-05 318 0.202E-02 0.282E-02
DAV: 27 -0.383497102771E+03 -0.85887E-03 -0.48933E-05 309 0.190E-02 0.230E-02
DAV: 28 -0.383497659488E+03 -0.55672E-03 -0.22346E-05 255 0.120E-02 0.169E-02
DAV: 29 -0.383498035991E+03 -0.37650E-03 -0.23447E-05 282 0.101E-02 0.704E-03
DAV: 30 -0.383498177369E+03 -0.14138E-03 -0.60547E-06 237 0.634E-03 0.450E-03
DAV: 31 -0.383498298907E+03 -0.12154E-03 -0.70387E-06 201 0.528E-03 0.766E-03
DAV: 32 -0.383498344707E+03 -0.45799E-04 -0.20970E-06 228 0.341E-03 0.618E-03
DAV: 33 -0.383498375761E+03 -0.31054E-04 -0.14257E-06 210 0.258E-03 0.379E-03
DAV: 34 -0.383498398843E+03 -0.23082E-04 -0.15724E-06 219 0.241E-03 0.125E-03
DAV: 35 -0.383498413053E+03 -0.14211E-04 -0.95226E-07 219 0.198E-03 0.120E-03
DAV: 36 -0.383498419523E+03 -0.64697E-05 -0.39161E-07 228 0.126E-03
1 F= -.38349842E+03 E0= -.38351516E+03 d E =0.502124E-01