iterations/neb0_image06_iter16_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 0.145145540293E+04 0.14515E+04 -0.44227E+04 330 0.697E+02
DAV: 2 0.227809613231E+03 -0.12236E+04 -0.11475E+04 426 0.163E+02
DAV: 3 -0.365412527714E+03 -0.59322E+03 -0.58992E+03 354 0.114E+02
DAV: 4 -0.433233814818E+03 -0.67821E+02 -0.67568E+02 318 0.490E+01
DAV: 5 -0.434716862903E+03 -0.14830E+01 -0.14806E+01 318 0.757E+00 0.427E+01
DAV: 6 -0.388854736808E+03 0.45862E+02 -0.14843E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385412669735E+03 0.34421E+01 -0.13323E+01 345 0.782E+00 0.104E+01
DAV: 8 -0.383969468781E+03 0.14432E+01 -0.26193E+00 336 0.394E+00 0.439E+00
DAV: 9 -0.383435585501E+03 0.53388E+00 -0.16681E+00 336 0.242E+00 0.132E+00
DAV: 10 -0.383345067446E+03 0.90518E-01 -0.16980E-01 327 0.115E+00 0.118E+00
DAV: 11 -0.383328887676E+03 0.16180E-01 -0.51106E-01 354 0.948E-01 0.902E-01
DAV: 12 -0.383298414297E+03 0.30473E-01 -0.46062E-02 327 0.499E-01 0.685E-01
DAV: 13 -0.383288019482E+03 0.10395E-01 -0.22236E-02 318 0.412E-01 0.715E-01
DAV: 14 -0.383272089313E+03 0.15930E-01 -0.73827E-02 318 0.494E-01 0.426E-01
DAV: 15 -0.383271685695E+03 0.40362E-03 -0.31248E-02 354 0.390E-01 0.440E-01
DAV: 16 -0.383271251938E+03 0.43376E-03 -0.60611E-03 291 0.269E-01 0.243E-01
DAV: 17 -0.383275815527E+03 -0.45636E-02 -0.43322E-03 318 0.173E-01 0.125E-01
DAV: 18 -0.383287163172E+03 -0.11348E-01 -0.34954E-03 291 0.204E-01 0.899E-02
DAV: 19 -0.383296476300E+03 -0.93131E-02 -0.29329E-03 309 0.169E-01 0.107E-01
DAV: 20 -0.383300714306E+03 -0.42380E-02 -0.11205E-03 336 0.884E-02 0.885E-02
DAV: 21 -0.383304799261E+03 -0.40850E-02 -0.57517E-04 309 0.519E-02 0.585E-02
DAV: 22 -0.383314033811E+03 -0.92346E-02 -0.81614E-04 300 0.572E-02 0.311E-02
DAV: 23 -0.383315965875E+03 -0.19321E-02 -0.11137E-04 318 0.272E-02 0.338E-02
DAV: 24 -0.383317249326E+03 -0.12835E-02 -0.90584E-05 336 0.268E-02 0.165E-02
DAV: 25 -0.383319061274E+03 -0.18119E-02 -0.82035E-05 282 0.186E-02 0.163E-02
DAV: 26 -0.383320388553E+03 -0.13273E-02 -0.55180E-05 300 0.155E-02 0.134E-02
DAV: 27 -0.383321147964E+03 -0.75941E-03 -0.37404E-05 264 0.121E-02 0.848E-03
DAV: 28 -0.383321432260E+03 -0.28430E-03 -0.89567E-06 228 0.718E-03 0.333E-03
DAV: 29 -0.383321613461E+03 -0.18120E-03 -0.79305E-06 210 0.614E-03 0.296E-03
DAV: 30 -0.383321696271E+03 -0.82811E-04 -0.23898E-06 219 0.355E-03 0.281E-03
DAV: 31 -0.383321775861E+03 -0.79590E-04 -0.34347E-06 210 0.427E-03 0.144E-03
DAV: 32 -0.383321793894E+03 -0.18033E-04 -0.12351E-06 228 0.246E-03 0.117E-03
DAV: 33 -0.383321807650E+03 -0.13756E-04 -0.59642E-07 201 0.168E-03 0.704E-04
DAV: 34 -0.383321821845E+03 -0.14195E-04 -0.61149E-07 210 0.160E-03 0.711E-04
DAV: 35 -0.383321826105E+03 -0.42606E-05 -0.19789E-07 228 0.103E-03
1 F= -.38332183E+03 E0= -.38333856E+03 d E =0.502097E-01