iterations/neb0_image09_iter64_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 0.142426602976E+04 0.14243E+04 -0.44005E+04 330 0.697E+02
DAV: 2 0.225529704754E+03 -0.11987E+04 -0.11248E+04 417 0.162E+02
DAV: 3 -0.358218974268E+03 -0.58375E+03 -0.57906E+03 372 0.113E+02
DAV: 4 -0.423782513463E+03 -0.65564E+02 -0.65187E+02 309 0.465E+01
DAV: 5 -0.425271921291E+03 -0.14894E+01 -0.14859E+01 327 0.734E+00 0.415E+01
DAV: 6 -0.381112894774E+03 0.44159E+02 -0.15893E+02 309 0.289E+01 0.206E+01
DAV: 7 -0.378044604926E+03 0.30683E+01 -0.18048E+01 327 0.848E+00 0.106E+01
DAV: 8 -0.376524477480E+03 0.15201E+01 -0.46481E+00 336 0.447E+00 0.532E+00
DAV: 9 -0.375930923653E+03 0.59355E+00 -0.17591E+00 327 0.228E+00 0.150E+00
DAV: 10 -0.375790383740E+03 0.14054E+00 -0.27739E-01 336 0.113E+00 0.789E-01
DAV: 11 -0.375755111218E+03 0.35273E-01 -0.47683E-02 336 0.558E-01 0.495E-01
DAV: 12 -0.375732096521E+03 0.23015E-01 -0.18256E-02 309 0.403E-01 0.218E-01
DAV: 13 -0.375729068163E+03 0.30284E-02 -0.11479E-02 327 0.349E-01 0.161E-01
DAV: 14 -0.375740910591E+03 -0.11842E-01 -0.79665E-03 318 0.319E-01 0.108E-01
DAV: 15 -0.375751810924E+03 -0.10900E-01 -0.45145E-03 300 0.229E-01 0.776E-02
DAV: 16 -0.375760374514E+03 -0.85636E-02 -0.30332E-03 318 0.161E-01 0.522E-02
DAV: 17 -0.375768149599E+03 -0.77751E-02 -0.57791E-04 327 0.609E-02 0.385E-02
DAV: 18 -0.375773731014E+03 -0.55814E-02 -0.36245E-04 336 0.468E-02 0.224E-02
DAV: 19 -0.375778936687E+03 -0.52057E-02 -0.30463E-04 309 0.392E-02 0.167E-02
DAV: 20 -0.375781185633E+03 -0.22489E-02 -0.10806E-04 327 0.221E-02 0.103E-02
DAV: 21 -0.375782812512E+03 -0.16269E-02 -0.82550E-05 282 0.193E-02 0.742E-03
DAV: 22 -0.375783730813E+03 -0.91830E-03 -0.43543E-05 282 0.119E-02 0.447E-03
DAV: 23 -0.375783991205E+03 -0.26039E-03 -0.97547E-06 228 0.827E-03 0.325E-03
DAV: 24 -0.375784135463E+03 -0.14426E-03 -0.49808E-06 219 0.582E-03 0.237E-03
DAV: 25 -0.375784224040E+03 -0.88577E-04 -0.40224E-06 219 0.571E-03 0.204E-03
DAV: 26 -0.375784288457E+03 -0.64417E-04 -0.27899E-06 210 0.377E-03 0.141E-03
DAV: 27 -0.375784310861E+03 -0.22404E-04 -0.14556E-06 228 0.264E-03 0.734E-04
DAV: 28 -0.375784326606E+03 -0.15745E-04 -0.82220E-07 219 0.203E-03 0.483E-04
DAV: 29 -0.375784335128E+03 -0.85216E-05 -0.40969E-07 228 0.115E-03
1 F= -.37578434E+03 E0= -.37578820E+03 d E =0.115958E-01