./iterations/neb0_image01_iter27_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.144721537660E+04 0.14472E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.224123731482E+03 -0.12231E+04 -0.11460E+04 435 0.163E+02
DAV: 3 -0.363084463735E+03 -0.58721E+03 -0.58377E+03 345 0.114E+02
DAV: 4 -0.433513250082E+03 -0.70429E+02 -0.70154E+02 318 0.508E+01
DAV: 5 -0.435085577490E+03 -0.15723E+01 -0.15698E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389102304236E+03 0.45983E+02 -0.14807E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385630800163E+03 0.34715E+01 -0.13576E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384152945043E+03 0.14779E+01 -0.21292E+00 327 0.383E+00 0.433E+00
DAV: 9 -0.383610948681E+03 0.54200E+00 -0.17502E+00 336 0.243E+00 0.137E+00
DAV: 10 -0.383538792271E+03 0.72156E-01 -0.26092E-01 318 0.113E+00 0.103E+00
DAV: 11 -0.383519723456E+03 0.19069E-01 -0.28946E-01 354 0.645E-01 0.993E-01
DAV: 12 -0.383494009872E+03 0.25714E-01 -0.23594E-01 327 0.703E-01 0.937E-01
DAV: 13 -0.383476635866E+03 0.17374E-01 -0.18000E-01 354 0.548E-01 0.664E-01
DAV: 14 -0.383464731475E+03 0.11904E-01 -0.19698E-02 354 0.379E-01 0.324E-01
DAV: 15 -0.383462016159E+03 0.27153E-02 -0.13621E-02 309 0.385E-01 0.189E-01
DAV: 16 -0.383467932036E+03 -0.59159E-02 -0.60714E-03 327 0.245E-01 0.195E-01
DAV: 17 -0.383475974512E+03 -0.80425E-02 -0.28828E-03 300 0.183E-01 0.164E-01
DAV: 18 -0.383482433348E+03 -0.64588E-02 -0.27590E-03 354 0.161E-01 0.123E-01
DAV: 19 -0.383491789602E+03 -0.93563E-02 -0.51968E-03 363 0.166E-01 0.191E-01
DAV: 20 -0.383491334290E+03 0.45531E-03 -0.25937E-03 327 0.855E-02 0.870E-02
DAV: 21 -0.383497003719E+03 -0.56694E-02 -0.66164E-04 309 0.659E-02 0.101E-01
DAV: 22 -0.383501607728E+03 -0.46040E-02 -0.56078E-04 327 0.559E-02 0.398E-02
DAV: 23 -0.383505777661E+03 -0.41699E-02 -0.25631E-04 318 0.469E-02 0.578E-02
DAV: 24 -0.383509110577E+03 -0.33329E-02 -0.18779E-04 309 0.318E-02 0.348E-02
DAV: 25 -0.383511096940E+03 -0.19864E-02 -0.10070E-04 318 0.219E-02 0.240E-02
DAV: 26 -0.383512078038E+03 -0.98110E-03 -0.52600E-05 327 0.168E-02 0.118E-02
DAV: 27 -0.383513087441E+03 -0.10094E-02 -0.53927E-05 300 0.139E-02 0.146E-02
DAV: 28 -0.383513651314E+03 -0.56387E-03 -0.24166E-05 264 0.102E-02 0.851E-03
DAV: 29 -0.383513855344E+03 -0.20403E-03 -0.12413E-05 246 0.763E-03 0.431E-03
DAV: 30 -0.383513990360E+03 -0.13502E-03 -0.52332E-06 201 0.521E-03 0.282E-03
DAV: 31 -0.383514073027E+03 -0.82667E-04 -0.34530E-06 219 0.358E-03 0.243E-03
DAV: 32 -0.383514106674E+03 -0.33647E-04 -0.15171E-06 228 0.278E-03 0.166E-03
DAV: 33 -0.383514132427E+03 -0.25753E-04 -0.11394E-06 210 0.211E-03 0.233E-03
DAV: 34 -0.383514145063E+03 -0.12636E-04 -0.67191E-07 228 0.172E-03 0.110E-03
DAV: 35 -0.383514151993E+03 -0.69305E-05 -0.52220E-07 210 0.141E-03
1 F= -.38351415E+03 E0= -.38353082E+03 d E =0.499922E-01