iterations/neb0_image01_iter15_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.161675603601E+04 0.16168E+04 -0.42275E+04 306 0.697E+02
DAV: 2 0.296190516316E+03 -0.13206E+04 -0.12434E+04 420 0.168E+02
DAV: 3 -0.358066741791E+03 -0.65426E+03 -0.65070E+03 364 0.123E+02
DAV: 4 -0.433519974506E+03 -0.75453E+02 -0.75150E+02 308 0.519E+01
DAV: 5 -0.435230683489E+03 -0.17107E+01 -0.17078E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389147522729E+03 0.46083E+02 -0.15045E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385618497074E+03 0.35290E+01 -0.12388E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384161320419E+03 0.14572E+01 -0.23517E+00 332 0.380E+00 0.428E+00
DAV: 9 -0.383588472461E+03 0.57285E+00 -0.62325E-01 324 0.193E+00 0.108E+00
DAV: 10 -0.383546594424E+03 0.41878E-01 -0.38274E-01 348 0.102E+00 0.111E+00
DAV: 11 -0.383517164449E+03 0.29430E-01 -0.23916E-01 324 0.557E-01 0.734E-01
DAV: 12 -0.383504080459E+03 0.13084E-01 -0.44339E-02 340 0.364E-01 0.504E-01
DAV: 13 -0.383488628804E+03 0.15452E-01 -0.88798E-02 308 0.470E-01 0.546E-01
DAV: 14 -0.383483972562E+03 0.46562E-02 -0.42978E-02 308 0.298E-01 0.258E-01
DAV: 15 -0.383487703328E+03 -0.37308E-02 -0.75463E-03 308 0.273E-01 0.212E-01
DAV: 16 -0.383497836435E+03 -0.10133E-01 -0.41555E-03 316 0.200E-01 0.126E-01
DAV: 17 -0.383512295488E+03 -0.14459E-01 -0.56570E-03 276 0.167E-01 0.119E-01
DAV: 18 -0.383521189451E+03 -0.88940E-02 -0.24878E-03 324 0.117E-01 0.567E-02
DAV: 19 -0.383528619283E+03 -0.74298E-02 -0.53057E-04 316 0.572E-02 0.449E-02
DAV: 20 -0.383537159379E+03 -0.85401E-02 -0.52964E-04 316 0.453E-02 0.228E-02
DAV: 21 -0.383540159127E+03 -0.29997E-02 -0.10862E-04 316 0.228E-02 0.178E-02
DAV: 22 -0.383543502553E+03 -0.33434E-02 -0.20204E-04 300 0.299E-02 0.994E-03
DAV: 23 -0.383544869814E+03 -0.13673E-02 -0.56993E-05 292 0.156E-02 0.782E-03
DAV: 24 -0.383545759742E+03 -0.88993E-03 -0.51725E-05 284 0.159E-02 0.675E-03
DAV: 25 -0.383546043917E+03 -0.28417E-03 -0.79149E-06 228 0.855E-03 0.376E-03
DAV: 26 -0.383546260313E+03 -0.21640E-03 -0.16312E-05 228 0.899E-03 0.434E-03
DAV: 27 -0.383546321605E+03 -0.61292E-04 -0.21290E-06 236 0.555E-03 0.213E-03
DAV: 28 -0.383546393681E+03 -0.72076E-04 -0.72217E-06 196 0.722E-03 0.369E-03
DAV: 29 -0.383546425157E+03 -0.31476E-04 -0.14409E-06 220 0.348E-03 0.277E-03
DAV: 30 -0.383546435306E+03 -0.10149E-04 -0.16327E-06 228 0.370E-03 0.806E-04
DAV: 31 -0.383546441594E+03 -0.62874E-05 -0.57392E-07 212 0.211E-03
1 F= -.38354644E+03 E0= -.38355965E+03 d E =0.396237E-01