iterations/neb0_image02_iter63_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 0.144790997618E+04 0.14479E+04 -0.44193E+04 330 0.697E+02
DAV: 2 0.224059744004E+03 -0.12239E+04 -0.11468E+04 435 0.163E+02
DAV: 3 -0.363117999221E+03 -0.58718E+03 -0.58407E+03 345 0.114E+02
DAV: 4 -0.433501232905E+03 -0.70383E+02 -0.70149E+02 309 0.508E+01
DAV: 5 -0.435082288344E+03 -0.15811E+01 -0.15784E+01 318 0.780E+00 0.426E+01
DAV: 6 -0.389082694981E+03 0.46000E+02 -0.14823E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385609208419E+03 0.34735E+01 -0.13361E+01 345 0.778E+00 0.104E+01
DAV: 8 -0.384141870794E+03 0.14673E+01 -0.21131E+00 327 0.382E+00 0.435E+00
DAV: 9 -0.383582095711E+03 0.55978E+00 -0.12759E+00 345 0.234E+00 0.121E+00
DAV: 10 -0.383523663798E+03 0.58432E-01 -0.28237E-01 327 0.112E+00 0.100E+00
DAV: 11 -0.383496596275E+03 0.27068E-01 -0.36959E-02 327 0.580E-01 0.681E-01
DAV: 12 -0.383465769593E+03 0.30827E-01 -0.45884E-02 327 0.537E-01 0.507E-01
DAV: 13 -0.383457828848E+03 0.79407E-02 -0.42997E-02 372 0.510E-01 0.642E-01
DAV: 14 -0.383450124472E+03 0.77044E-02 -0.10817E-02 336 0.302E-01 0.371E-01
DAV: 15 -0.383453162862E+03 -0.30384E-02 -0.14674E-02 318 0.262E-01 0.619E-01
DAV: 16 -0.383451689240E+03 0.14736E-02 -0.35192E-02 381 0.271E-01 0.264E-01
DAV: 17 -0.383457721193E+03 -0.60320E-02 -0.64929E-03 291 0.246E-01 0.185E-01
DAV: 18 -0.383463457106E+03 -0.57359E-02 -0.28051E-03 318 0.175E-01 0.177E-01
DAV: 19 -0.383475418591E+03 -0.11961E-01 -0.26891E-03 282 0.160E-01 0.135E-01
DAV: 20 -0.383484586654E+03 -0.91681E-02 -0.15721E-03 318 0.111E-01 0.489E-02
DAV: 21 -0.383489896021E+03 -0.53094E-02 -0.50543E-04 318 0.613E-02 0.618E-02
DAV: 22 -0.383493518128E+03 -0.36221E-02 -0.13511E-04 318 0.289E-02 0.469E-02
DAV: 23 -0.383498256504E+03 -0.47384E-02 -0.31610E-04 300 0.339E-02 0.233E-02
DAV: 24 -0.383500089455E+03 -0.18330E-02 -0.80777E-05 327 0.182E-02 0.123E-02
DAV: 25 -0.383501225212E+03 -0.11358E-02 -0.43801E-05 273 0.128E-02 0.125E-02
DAV: 26 -0.383501804582E+03 -0.57937E-03 -0.21158E-05 264 0.864E-03 0.674E-03
DAV: 27 -0.383502156816E+03 -0.35223E-03 -0.93211E-06 219 0.754E-03 0.326E-03
DAV: 28 -0.383502296408E+03 -0.13959E-03 -0.74418E-06 228 0.560E-03 0.471E-03
DAV: 29 -0.383502342964E+03 -0.46556E-04 -0.17426E-06 237 0.377E-03 0.181E-03
DAV: 30 -0.383502422099E+03 -0.79135E-04 -0.28998E-06 183 0.325E-03 0.128E-03
DAV: 31 -0.383502442591E+03 -0.20492E-04 -0.81206E-07 228 0.186E-03 0.922E-04
DAV: 32 -0.383502470285E+03 -0.27695E-04 -0.12363E-06 183 0.205E-03 0.761E-04
DAV: 33 -0.383502471979E+03 -0.16935E-05 -0.27915E-07 237 0.111E-03
1 F= -.38350247E+03 E0= -.38351889E+03 d E =0.492514E-01