iterations/neb0_image06_iter49_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 0.144910422903E+04 0.14491E+04 -0.44234E+04 330 0.697E+02
DAV: 2 0.230431371064E+03 -0.12187E+04 -0.11422E+04 417 0.163E+02
DAV: 3 -0.367852230804E+03 -0.59828E+03 -0.59493E+03 363 0.114E+02
DAV: 4 -0.433136837589E+03 -0.65285E+02 -0.65054E+02 300 0.473E+01
DAV: 5 -0.434563338173E+03 -0.14265E+01 -0.14235E+01 336 0.732E+00 0.427E+01
DAV: 6 -0.388518238132E+03 0.46045E+02 -0.15059E+02 309 0.287E+01 0.209E+01
DAV: 7 -0.385057528689E+03 0.34607E+01 -0.12584E+01 345 0.772E+00 0.104E+01
DAV: 8 -0.383615442339E+03 0.14421E+01 -0.22984E+00 327 0.377E+00 0.426E+00
DAV: 9 -0.383039434088E+03 0.57601E+00 -0.60711E-01 336 0.196E+00 0.982E-01
DAV: 10 -0.382987600035E+03 0.51834E-01 -0.33284E-01 327 0.112E+00 0.103E+00
DAV: 11 -0.382965866030E+03 0.21734E-01 -0.13986E-01 336 0.551E-01 0.660E-01
DAV: 12 -0.382939044632E+03 0.26821E-01 -0.96652E-02 318 0.434E-01 0.509E-01
DAV: 13 -0.382921998600E+03 0.17046E-01 -0.31815E-02 363 0.496E-01 0.487E-01
DAV: 14 -0.382919604539E+03 0.23941E-02 -0.73145E-03 345 0.257E-01 0.246E-01
DAV: 15 -0.382921538812E+03 -0.19343E-02 -0.46235E-03 300 0.246E-01 0.177E-01
DAV: 16 -0.382931130338E+03 -0.95915E-02 -0.72804E-03 318 0.285E-01 0.131E-01
DAV: 17 -0.382941327644E+03 -0.10197E-01 -0.39987E-03 309 0.196E-01 0.129E-01
DAV: 18 -0.382949669601E+03 -0.83420E-02 -0.21596E-03 318 0.120E-01 0.715E-02
DAV: 19 -0.382955030017E+03 -0.53604E-02 -0.51795E-04 318 0.720E-02 0.493E-02
DAV: 20 -0.382961424819E+03 -0.63948E-02 -0.44028E-04 327 0.458E-02 0.284E-02
DAV: 21 -0.382967407370E+03 -0.59826E-02 -0.28114E-04 282 0.350E-02 0.146E-02
DAV: 22 -0.382970773843E+03 -0.33665E-02 -0.18751E-04 327 0.254E-02 0.154E-02
DAV: 23 -0.382972457280E+03 -0.16834E-02 -0.72618E-05 291 0.179E-02 0.804E-03
DAV: 24 -0.382973322909E+03 -0.86563E-03 -0.41145E-05 309 0.137E-02 0.753E-03
DAV: 25 -0.382973766357E+03 -0.44345E-03 -0.13243E-05 219 0.903E-03 0.402E-03
DAV: 26 -0.382973997605E+03 -0.23125E-03 -0.11818E-05 228 0.797E-03 0.289E-03
DAV: 27 -0.382974079049E+03 -0.81444E-04 -0.22392E-06 237 0.468E-03 0.160E-03
DAV: 28 -0.382974165289E+03 -0.86240E-04 -0.42052E-06 192 0.499E-03 0.225E-03
DAV: 29 -0.382974191057E+03 -0.25768E-04 -0.11060E-06 219 0.321E-03 0.146E-03
DAV: 30 -0.382974213431E+03 -0.22375E-04 -0.23775E-06 210 0.428E-03 0.197E-03
DAV: 31 -0.382974216826E+03 -0.33949E-05 -0.44418E-07 237 0.238E-03
1 F= -.38297422E+03 E0= -.38298713E+03 d E =0.387365E-01