iterations/neb0_image02_iter49_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 0.144877780457E+04 0.14488E+04 -0.44195E+04 330 0.697E+02
DAV: 2 0.224524052312E+03 -0.12243E+04 -0.11473E+04 435 0.163E+02
DAV: 3 -0.363297145953E+03 -0.58782E+03 -0.58463E+03 354 0.114E+02
DAV: 4 -0.433515947877E+03 -0.70219E+02 -0.69992E+02 309 0.503E+01
DAV: 5 -0.435072205064E+03 -0.15563E+01 -0.15536E+01 318 0.767E+00 0.427E+01
DAV: 6 -0.388989963146E+03 0.46082E+02 -0.14859E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385528321444E+03 0.34616E+01 -0.13566E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384068349522E+03 0.14600E+01 -0.22466E+00 327 0.385E+00 0.443E+00
DAV: 9 -0.383520471203E+03 0.54788E+00 -0.18218E+00 363 0.244E+00 0.144E+00
DAV: 10 -0.383446992593E+03 0.73479E-01 -0.41449E-01 318 0.122E+00 0.107E+00
DAV: 11 -0.383416242629E+03 0.30750E-01 -0.59117E-02 336 0.653E-01 0.698E-01
DAV: 12 -0.383395012727E+03 0.21230E-01 -0.38469E-02 327 0.483E-01 0.826E-01
DAV: 13 -0.383375603282E+03 0.19409E-01 -0.11990E-01 372 0.528E-01 0.538E-01
DAV: 14 -0.383368110851E+03 0.74924E-02 -0.13717E-02 327 0.374E-01 0.425E-01
DAV: 15 -0.383367901579E+03 0.20927E-03 -0.22005E-02 318 0.304E-01 0.463E-01
DAV: 16 -0.383369242594E+03 -0.13410E-02 -0.94817E-03 354 0.315E-01 0.269E-01
DAV: 17 -0.383373870468E+03 -0.46279E-02 -0.11867E-02 291 0.225E-01 0.199E-01
DAV: 18 -0.383384349757E+03 -0.10479E-01 -0.31660E-03 309 0.166E-01 0.178E-01
DAV: 19 -0.383391942156E+03 -0.75924E-02 -0.20404E-03 327 0.160E-01 0.189E-01
DAV: 20 -0.383400147496E+03 -0.82053E-02 -0.14848E-03 309 0.119E-01 0.728E-02
DAV: 21 -0.383405799234E+03 -0.56517E-02 -0.57972E-04 327 0.602E-02 0.516E-02
DAV: 22 -0.383410046686E+03 -0.42475E-02 -0.18959E-04 300 0.321E-02 0.444E-02
DAV: 23 -0.383414952000E+03 -0.49053E-02 -0.33282E-04 318 0.368E-02 0.261E-02
DAV: 24 -0.383416416153E+03 -0.14642E-02 -0.65206E-05 300 0.178E-02 0.136E-02
DAV: 25 -0.383417511219E+03 -0.10951E-02 -0.56396E-05 309 0.149E-02 0.758E-03
DAV: 26 -0.383417838555E+03 -0.32734E-03 -0.58889E-06 237 0.566E-03 0.570E-03
DAV: 27 -0.383418177910E+03 -0.33936E-03 -0.11637E-05 219 0.556E-03 0.445E-03
DAV: 28 -0.383418344666E+03 -0.16676E-03 -0.51463E-06 228 0.616E-03 0.381E-03
DAV: 29 -0.383418401275E+03 -0.56610E-04 -0.22192E-06 228 0.339E-03 0.239E-03
DAV: 30 -0.383418439106E+03 -0.37831E-04 -0.12635E-06 192 0.298E-03 0.113E-03
DAV: 31 -0.383418471962E+03 -0.32856E-04 -0.12084E-06 210 0.217E-03 0.112E-03
DAV: 32 -0.383418479819E+03 -0.78569E-05 -0.36980E-07 237 0.146E-03
1 F= -.38341848E+03 E0= -.38343488E+03 d E =0.492131E-01