iterations/neb0_image09_iter65_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 0.142426059903E+04 0.14243E+04 -0.44009E+04 330 0.697E+02
DAV: 2 0.224214405130E+03 -0.12000E+04 -0.11255E+04 417 0.162E+02
DAV: 3 -0.358631113262E+03 -0.58285E+03 -0.57832E+03 372 0.113E+02
DAV: 4 -0.423633763117E+03 -0.65003E+02 -0.64642E+02 300 0.464E+01
DAV: 5 -0.425127993797E+03 -0.14942E+01 -0.14902E+01 336 0.732E+00 0.414E+01
DAV: 6 -0.381068254820E+03 0.44060E+02 -0.15670E+02 309 0.290E+01 0.206E+01
DAV: 7 -0.377918886693E+03 0.31494E+01 -0.15169E+01 354 0.831E+00 0.104E+01
DAV: 8 -0.376428242423E+03 0.14906E+01 -0.31377E+00 336 0.411E+00 0.480E+00
DAV: 9 -0.375869000320E+03 0.55924E+00 -0.94319E-01 327 0.213E+00 0.123E+00
DAV: 10 -0.375763565208E+03 0.10544E+00 -0.17192E-01 336 0.103E+00 0.773E-01
DAV: 11 -0.375731108755E+03 0.32456E-01 -0.32813E-02 336 0.489E-01 0.459E-01
DAV: 12 -0.375706853648E+03 0.24255E-01 -0.18459E-02 336 0.413E-01 0.209E-01
DAV: 13 -0.375705562970E+03 0.12907E-02 -0.12405E-02 318 0.361E-01 0.159E-01
DAV: 14 -0.375717078968E+03 -0.11516E-01 -0.68910E-03 363 0.295E-01 0.106E-01
DAV: 15 -0.375727736384E+03 -0.10657E-01 -0.37129E-03 300 0.210E-01 0.644E-02
DAV: 16 -0.375735899878E+03 -0.81635E-02 -0.25778E-03 336 0.142E-01 0.488E-02
DAV: 17 -0.375743313583E+03 -0.74137E-02 -0.50013E-04 309 0.578E-02 0.330E-02
DAV: 18 -0.375751070077E+03 -0.77565E-02 -0.54233E-04 327 0.493E-02 0.233E-02
DAV: 19 -0.375754478018E+03 -0.34079E-02 -0.13905E-04 318 0.288E-02 0.171E-02
DAV: 20 -0.375757344981E+03 -0.28670E-02 -0.19966E-04 309 0.316E-02 0.105E-02
DAV: 21 -0.375758300587E+03 -0.95561E-03 -0.32974E-05 291 0.136E-02 0.967E-03
DAV: 22 -0.375759436993E+03 -0.11364E-02 -0.66454E-05 273 0.160E-02 0.344E-03
DAV: 23 -0.375759691465E+03 -0.25447E-03 -0.93053E-06 228 0.758E-03 0.343E-03
DAV: 24 -0.375759850675E+03 -0.15921E-03 -0.47126E-06 228 0.535E-03 0.262E-03
DAV: 25 -0.375759964429E+03 -0.11375E-03 -0.42757E-06 219 0.497E-03 0.155E-03
DAV: 26 -0.375760028912E+03 -0.64483E-04 -0.32397E-06 219 0.434E-03 0.195E-03
DAV: 27 -0.375760059928E+03 -0.31017E-04 -0.17884E-06 210 0.317E-03 0.121E-03
DAV: 28 -0.375760070681E+03 -0.10752E-04 -0.99387E-07 228 0.254E-03 0.606E-04
DAV: 29 -0.375760081487E+03 -0.10806E-04 -0.46325E-07 219 0.148E-03 0.412E-04
DAV: 30 -0.375760088702E+03 -0.72148E-05 -0.25879E-07 219 0.945E-04
1 F= -.37576009E+03 E0= -.37576395E+03 d E =0.115977E-01