iterations/neb0_image01_iter59_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 0.144756924853E+04 0.14476E+04 -0.44192E+04 330 0.697E+02
DAV: 2 0.224024038303E+03 -0.12235E+04 -0.11465E+04 435 0.163E+02
DAV: 3 -0.363194229880E+03 -0.58722E+03 -0.58376E+03 345 0.114E+02
DAV: 4 -0.433525100229E+03 -0.70331E+02 -0.70059E+02 318 0.508E+01
DAV: 5 -0.435097826636E+03 -0.15727E+01 -0.15702E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389092721946E+03 0.46005E+02 -0.14833E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385621510686E+03 0.34712E+01 -0.13243E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384154455035E+03 0.14671E+01 -0.22803E+00 336 0.383E+00 0.433E+00
DAV: 9 -0.383605247075E+03 0.54921E+00 -0.15668E+00 327 0.236E+00 0.124E+00
DAV: 10 -0.383527673913E+03 0.77573E-01 -0.15052E-01 327 0.107E+00 0.987E-01
DAV: 11 -0.383507341309E+03 0.20333E-01 -0.33956E-01 327 0.933E-01 0.740E-01
DAV: 12 -0.383482229317E+03 0.25112E-01 -0.47244E-02 318 0.518E-01 0.666E-01
DAV: 13 -0.383476860923E+03 0.53684E-02 -0.74954E-02 345 0.367E-01 0.550E-01
DAV: 14 -0.383460729252E+03 0.16132E-01 -0.15901E-02 309 0.386E-01 0.367E-01
DAV: 15 -0.383458908889E+03 0.18204E-02 -0.26231E-02 345 0.410E-01 0.431E-01
DAV: 16 -0.383459269461E+03 -0.36057E-03 -0.85064E-03 327 0.263E-01 0.190E-01
DAV: 17 -0.383466819417E+03 -0.75500E-02 -0.53549E-03 309 0.177E-01 0.212E-01
DAV: 18 -0.383468635682E+03 -0.18163E-02 -0.33491E-03 318 0.104E-01 0.114E-01
DAV: 19 -0.383482245793E+03 -0.13610E-01 -0.42960E-03 291 0.172E-01 0.926E-02
DAV: 20 -0.383487695135E+03 -0.54493E-02 -0.12066E-03 327 0.916E-02 0.105E-01
DAV: 21 -0.383494012271E+03 -0.63171E-02 -0.12731E-03 318 0.718E-02 0.610E-02
DAV: 22 -0.383500924265E+03 -0.69120E-02 -0.52487E-04 291 0.584E-02 0.535E-02
DAV: 23 -0.383503854597E+03 -0.29303E-02 -0.19192E-04 318 0.324E-02 0.314E-02
DAV: 24 -0.383506068859E+03 -0.22143E-02 -0.80715E-05 309 0.193E-02 0.247E-02
DAV: 25 -0.383508420473E+03 -0.23516E-02 -0.20869E-04 318 0.230E-02 0.220E-02
DAV: 26 -0.383509314031E+03 -0.89356E-03 -0.52236E-05 300 0.142E-02 0.873E-03
DAV: 27 -0.383509416150E+03 -0.10212E-03 -0.44885E-06 246 0.565E-03 0.792E-03
DAV: 28 -0.383509861657E+03 -0.44551E-03 -0.17961E-05 237 0.792E-03 0.860E-03
DAV: 29 -0.383510024928E+03 -0.16327E-03 -0.62232E-06 228 0.538E-03 0.615E-03
DAV: 30 -0.383510144639E+03 -0.11971E-03 -0.52467E-06 219 0.444E-03 0.294E-03
DAV: 31 -0.383510182360E+03 -0.37720E-04 -0.19014E-06 228 0.318E-03 0.487E-03
DAV: 32 -0.383510225352E+03 -0.42992E-04 -0.14648E-06 183 0.253E-03 0.208E-03
DAV: 33 -0.383510237036E+03 -0.11684E-04 -0.71444E-07 228 0.169E-03 0.138E-03
DAV: 34 -0.383510243229E+03 -0.61924E-05 -0.34380E-07 228 0.123E-03
1 F= -.38351024E+03 E0= -.38352678E+03 d E =0.496114E-01