./iterations/neb0_image07_iter22_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 0.150679508322E+04 0.15068E+04 -0.43560E+04 322 0.697E+02
DAV: 2 0.248452720502E+03 -0.12583E+04 -0.11841E+04 428 0.164E+02
DAV: 3 -0.359339399804E+03 -0.60779E+03 -0.60372E+03 356 0.117E+02
DAV: 4 -0.433088019137E+03 -0.73749E+02 -0.73437E+02 316 0.513E+01
DAV: 5 -0.434783031054E+03 -0.16950E+01 -0.16921E+01 340 0.787E+00 0.427E+01
DAV: 6 -0.388818145308E+03 0.45965E+02 -0.14995E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385308274770E+03 0.35099E+01 -0.12453E+01 332 0.771E+00 0.104E+01
DAV: 8 -0.383894624000E+03 0.14137E+01 -0.26514E+00 332 0.390E+00 0.432E+00
DAV: 9 -0.383341966678E+03 0.55266E+00 -0.76633E-01 332 0.199E+00 0.122E+00
DAV: 10 -0.383290322880E+03 0.51644E-01 -0.52099E-01 340 0.105E+00 0.776E-01
DAV: 11 -0.383265202450E+03 0.25120E-01 -0.32482E-02 316 0.481E-01 0.617E-01
DAV: 12 -0.383244069758E+03 0.21133E-01 -0.12096E-01 364 0.657E-01 0.809E-01
DAV: 13 -0.383233915796E+03 0.10154E-01 -0.71334E-02 340 0.405E-01 0.461E-01
DAV: 14 -0.383232385083E+03 0.15307E-02 -0.20075E-02 292 0.274E-01 0.326E-01
DAV: 15 -0.383236156227E+03 -0.37711E-02 -0.66037E-03 316 0.201E-01 0.266E-01
DAV: 16 -0.383247227553E+03 -0.11071E-01 -0.18452E-02 316 0.264E-01 0.216E-01
DAV: 17 -0.383257845855E+03 -0.10618E-01 -0.45898E-03 308 0.205E-01 0.235E-01
DAV: 18 -0.383264592985E+03 -0.67471E-02 -0.14633E-03 300 0.112E-01 0.685E-02
DAV: 19 -0.383272219140E+03 -0.76262E-02 -0.11675E-03 292 0.790E-02 0.102E-01
DAV: 20 -0.383277632574E+03 -0.54134E-02 -0.48733E-04 308 0.614E-02 0.652E-02
DAV: 21 -0.383282353009E+03 -0.47204E-02 -0.30895E-04 324 0.489E-02 0.201E-02
DAV: 22 -0.383286661325E+03 -0.43083E-02 -0.28764E-04 324 0.342E-02 0.357E-02
DAV: 23 -0.383288018604E+03 -0.13573E-02 -0.52301E-05 300 0.192E-02 0.115E-02
DAV: 24 -0.383289561003E+03 -0.15424E-02 -0.94400E-05 300 0.199E-02 0.936E-03
DAV: 25 -0.383289959347E+03 -0.39834E-03 -0.11027E-05 228 0.928E-03 0.574E-03
DAV: 26 -0.383290333503E+03 -0.37416E-03 -0.25321E-05 252 0.942E-03 0.546E-03
DAV: 27 -0.383290423086E+03 -0.89583E-04 -0.39188E-06 236 0.702E-03 0.409E-03
DAV: 28 -0.383290526490E+03 -0.10340E-03 -0.64619E-06 204 0.575E-03 0.410E-03
DAV: 29 -0.383290573808E+03 -0.47318E-04 -0.16484E-06 228 0.352E-03 0.226E-03
DAV: 30 -0.383290607620E+03 -0.33812E-04 -0.36147E-06 212 0.504E-03 0.246E-03
DAV: 31 -0.383290625010E+03 -0.17390E-04 -0.92168E-07 220 0.237E-03 0.237E-03
DAV: 32 -0.383290634078E+03 -0.90684E-05 -0.35274E-07 220 0.122E-03
1 F= -.38329063E+03 E0= -.38330373E+03 d E =0.392777E-01