iterations/neb0_image04_iter12_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 0.144966179149E+04 0.14497E+04 -0.44201E+04 330 0.697E+02
DAV: 2 0.225406177778E+03 -0.12243E+04 -0.11496E+04 435 0.163E+02
DAV: 3 -0.362349164746E+03 -0.58776E+03 -0.58443E+03 345 0.114E+02
DAV: 4 -0.433308734804E+03 -0.70960E+02 -0.70698E+02 318 0.509E+01
DAV: 5 -0.434896598313E+03 -0.15879E+01 -0.15854E+01 318 0.785E+00 0.426E+01
DAV: 6 -0.389017218490E+03 0.45879E+02 -0.14762E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385567587168E+03 0.34496E+01 -0.13492E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384104411751E+03 0.14632E+01 -0.21525E+00 327 0.385E+00 0.434E+00
DAV: 9 -0.383564790078E+03 0.53962E+00 -0.16043E+00 327 0.242E+00 0.135E+00
DAV: 10 -0.383495516739E+03 0.69273E-01 -0.29302E-01 336 0.116E+00 0.107E+00
DAV: 11 -0.383474744749E+03 0.20772E-01 -0.31766E-01 345 0.673E-01 0.101E+00
DAV: 12 -0.383456186286E+03 0.18558E-01 -0.29491E-01 354 0.767E-01 0.942E-01
DAV: 13 -0.383431722502E+03 0.24464E-01 -0.10392E-01 354 0.561E-01 0.608E-01
DAV: 14 -0.383421614045E+03 0.10108E-01 -0.39163E-02 327 0.370E-01 0.405E-01
DAV: 15 -0.383418400397E+03 0.32136E-02 -0.24487E-02 318 0.430E-01 0.329E-01
DAV: 16 -0.383420430130E+03 -0.20297E-02 -0.70536E-03 318 0.267E-01 0.186E-01
DAV: 17 -0.383426653628E+03 -0.62235E-02 -0.39036E-03 300 0.191E-01 0.140E-01
DAV: 18 -0.383434150949E+03 -0.74973E-02 -0.26383E-03 372 0.177E-01 0.117E-01
DAV: 19 -0.383446291634E+03 -0.12141E-01 -0.85823E-03 381 0.220E-01 0.284E-01
DAV: 20 -0.383445513071E+03 0.77856E-03 -0.17864E-03 318 0.978E-02 0.143E-01
DAV: 21 -0.383448125792E+03 -0.26127E-02 -0.46762E-04 300 0.480E-02 0.106E-01
DAV: 22 -0.383454760255E+03 -0.66345E-02 -0.64391E-04 309 0.632E-02 0.988E-02
DAV: 23 -0.383460104214E+03 -0.53440E-02 -0.89390E-04 327 0.607E-02 0.414E-02
DAV: 24 -0.383462483931E+03 -0.23797E-02 -0.20805E-04 309 0.341E-02 0.342E-02
DAV: 25 -0.383464247951E+03 -0.17640E-02 -0.76560E-05 318 0.192E-02 0.349E-02
DAV: 26 -0.383466311108E+03 -0.20632E-02 -0.14755E-04 300 0.262E-02 0.105E-02
DAV: 27 -0.383467063444E+03 -0.75234E-03 -0.53571E-05 318 0.149E-02 0.166E-02
DAV: 28 -0.383467452254E+03 -0.38881E-03 -0.81905E-06 246 0.728E-03 0.112E-02
DAV: 29 -0.383467999010E+03 -0.54676E-03 -0.28038E-05 264 0.961E-03 0.685E-03
DAV: 30 -0.383468189221E+03 -0.19021E-03 -0.48533E-06 228 0.670E-03 0.399E-03
DAV: 31 -0.383468259164E+03 -0.69943E-04 -0.43424E-06 237 0.471E-03 0.298E-03
DAV: 32 -0.383468273755E+03 -0.14591E-04 -0.98418E-07 237 0.269E-03 0.273E-03
DAV: 33 -0.383468328335E+03 -0.54580E-04 -0.27442E-06 210 0.477E-03 0.400E-03
DAV: 34 -0.383468343796E+03 -0.15461E-04 -0.75293E-07 228 0.256E-03 0.246E-03
DAV: 35 -0.383468359271E+03 -0.15475E-04 -0.14560E-06 219 0.335E-03 0.102E-03
DAV: 36 -0.383468363136E+03 -0.38654E-05 -0.34375E-07 228 0.159E-03
1 F= -.38346836E+03 E0= -.38348510E+03 d E =0.502019E-01