./iterations/neb0_image03_iter38_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.151033417807E+04 0.15103E+04 -0.43528E+04 322 0.697E+02
DAV: 2 0.254397752393E+03 -0.12559E+04 -0.11784E+04 428 0.164E+02
DAV: 3 -0.354511577964E+03 -0.60891E+03 -0.60478E+03 348 0.118E+02
DAV: 4 -0.433159341272E+03 -0.78648E+02 -0.78324E+02 308 0.536E+01
DAV: 5 -0.435023718437E+03 -0.18644E+01 -0.18611E+01 332 0.832E+00 0.426E+01
DAV: 6 -0.389195281296E+03 0.45828E+02 -0.14856E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385746730404E+03 0.34486E+01 -0.12640E+01 340 0.779E+00 0.104E+01
DAV: 8 -0.384347527234E+03 0.13992E+01 -0.32362E+00 332 0.390E+00 0.431E+00
DAV: 9 -0.383772030474E+03 0.57550E+00 -0.68784E-01 324 0.207E+00 0.967E-01
DAV: 10 -0.383718461179E+03 0.53569E-01 -0.17989E-01 348 0.935E-01 0.891E-01
DAV: 11 -0.383702954338E+03 0.15507E-01 -0.12889E-01 356 0.449E-01 0.620E-01
DAV: 12 -0.383676517678E+03 0.26437E-01 -0.19876E-02 316 0.421E-01 0.373E-01
DAV: 13 -0.383659610562E+03 0.16907E-01 -0.24800E-02 308 0.513E-01 0.205E-01
DAV: 14 -0.383668575514E+03 -0.89650E-02 -0.22206E-02 308 0.481E-01 0.165E-01
DAV: 15 -0.383675099180E+03 -0.65237E-02 -0.52831E-03 308 0.214E-01 0.127E-01
DAV: 16 -0.383686830463E+03 -0.11731E-01 -0.29696E-03 284 0.157E-01 0.716E-02
DAV: 17 -0.383695571988E+03 -0.87415E-02 -0.18895E-03 316 0.138E-01 0.524E-02
DAV: 18 -0.383702468619E+03 -0.68966E-02 -0.12398E-03 316 0.110E-01 0.417E-02
DAV: 19 -0.383708785110E+03 -0.63165E-02 -0.37610E-04 308 0.576E-02 0.228E-02
DAV: 20 -0.383713665970E+03 -0.48809E-02 -0.40797E-04 316 0.535E-02 0.189E-02
DAV: 21 -0.383716063868E+03 -0.23979E-02 -0.15777E-04 316 0.357E-02 0.919E-03
DAV: 22 -0.383716985338E+03 -0.92147E-03 -0.47619E-05 300 0.178E-02 0.771E-03
DAV: 23 -0.383717731313E+03 -0.74597E-03 -0.26654E-05 236 0.142E-02 0.403E-03
DAV: 24 -0.383718120455E+03 -0.38914E-03 -0.23237E-05 260 0.125E-02 0.277E-03
DAV: 25 -0.383718258899E+03 -0.13844E-03 -0.60654E-06 236 0.760E-03 0.193E-03
DAV: 26 -0.383718350352E+03 -0.91453E-04 -0.31226E-06 212 0.487E-03 0.130E-03
DAV: 27 -0.383718392233E+03 -0.41881E-04 -0.20456E-06 228 0.351E-03 0.863E-04
DAV: 28 -0.383718420950E+03 -0.28717E-04 -0.15334E-06 212 0.305E-03 0.519E-04
DAV: 29 -0.383718430001E+03 -0.90510E-05 -0.67922E-07 228 0.185E-03
1 F= -.38371843E+03 E0= -.38372694E+03 d E =0.255400E-01