iterations/neb0_image06_iter8_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 0.162141493462E+04 0.16214E+04 -0.42286E+04 306 0.697E+02
DAV: 2 0.301607643342E+03 -0.13198E+04 -0.12413E+04 420 0.168E+02
DAV: 3 -0.357850519146E+03 -0.65946E+03 -0.65491E+03 364 0.123E+02
DAV: 4 -0.433272994070E+03 -0.75422E+02 -0.75147E+02 308 0.529E+01
DAV: 5 -0.434966175260E+03 -0.16932E+01 -0.16907E+01 348 0.811E+00 0.427E+01
DAV: 6 -0.388907888264E+03 0.46058E+02 -0.15067E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385416454503E+03 0.34914E+01 -0.12615E+01 340 0.772E+00 0.104E+01
DAV: 8 -0.383988502475E+03 0.14280E+01 -0.26563E+00 332 0.390E+00 0.432E+00
DAV: 9 -0.383441966371E+03 0.54654E+00 -0.89878E-01 324 0.205E+00 0.115E+00
DAV: 10 -0.383375393964E+03 0.66572E-01 -0.26383E-01 340 0.101E+00 0.860E-01
DAV: 11 -0.383348580848E+03 0.26813E-01 -0.39038E-02 316 0.503E-01 0.551E-01
DAV: 12 -0.383328798262E+03 0.19783E-01 -0.72439E-02 316 0.491E-01 0.448E-01
DAV: 13 -0.383322310851E+03 0.64874E-02 -0.25480E-02 324 0.325E-01 0.272E-01
DAV: 14 -0.383324534455E+03 -0.22236E-02 -0.36073E-02 340 0.321E-01 0.428E-01
DAV: 15 -0.383327339663E+03 -0.28052E-02 -0.25910E-02 316 0.257E-01 0.131E-01
DAV: 16 -0.383338136514E+03 -0.10797E-01 -0.27940E-03 300 0.152E-01 0.134E-01
DAV: 17 -0.383351107463E+03 -0.12971E-01 -0.31599E-03 284 0.144E-01 0.171E-01
DAV: 18 -0.383358534211E+03 -0.74267E-02 -0.30225E-03 308 0.122E-01 0.648E-02
DAV: 19 -0.383362873258E+03 -0.43390E-02 -0.63629E-04 324 0.644E-02 0.404E-02
DAV: 20 -0.383369948523E+03 -0.70753E-02 -0.41999E-04 300 0.417E-02 0.385E-02
DAV: 21 -0.383375808857E+03 -0.58603E-02 -0.35056E-04 316 0.357E-02 0.166E-02
DAV: 22 -0.383378255607E+03 -0.24467E-02 -0.13631E-04 300 0.266E-02 0.108E-02
DAV: 23 -0.383379683122E+03 -0.14275E-02 -0.63762E-05 308 0.153E-02 0.958E-03
DAV: 24 -0.383380474097E+03 -0.79097E-03 -0.33012E-05 268 0.108E-02 0.456E-03
DAV: 25 -0.383380870841E+03 -0.39674E-03 -0.19476E-05 228 0.876E-03 0.371E-03
DAV: 26 -0.383381018578E+03 -0.14774E-03 -0.46955E-06 236 0.515E-03 0.254E-03
DAV: 27 -0.383381114739E+03 -0.96161E-04 -0.42344E-06 212 0.433E-03 0.225E-03
DAV: 28 -0.383381150178E+03 -0.35439E-04 -0.14797E-06 228 0.322E-03 0.115E-03
DAV: 29 -0.383381182403E+03 -0.32224E-04 -0.18337E-06 212 0.293E-03 0.121E-03
DAV: 30 -0.383381191130E+03 -0.87279E-05 -0.45114E-07 228 0.161E-03
1 F= -.38338119E+03 E0= -.38339423E+03 d E =0.391234E-01