iterations/neb0_image08_iter72_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 0.144143107664E+04 0.14414E+04 -0.44217E+04 330 0.696E+02
DAV: 2 0.240215158348E+03 -0.12012E+04 -0.11268E+04 417 0.162E+02
DAV: 3 -0.341808146728E+03 -0.58202E+03 -0.57648E+03 354 0.113E+02
DAV: 4 -0.414935221062E+03 -0.73127E+02 -0.72540E+02 318 0.493E+01
DAV: 5 -0.416735901603E+03 -0.18007E+01 -0.17941E+01 345 0.795E+00 0.423E+01
DAV: 6 -0.372066195430E+03 0.44670E+02 -0.14638E+02 309 0.288E+01 0.208E+01
DAV: 7 -0.368682791415E+03 0.33834E+01 -0.12115E+01 354 0.838E+00 0.106E+01
DAV: 8 -0.367102893157E+03 0.15799E+01 -0.20858E+00 327 0.420E+00 0.432E+00
DAV: 9 -0.366540629471E+03 0.56226E+00 -0.65759E-01 327 0.228E+00 0.988E-01
DAV: 10 -0.366459302669E+03 0.81327E-01 -0.16560E-01 336 0.109E+00 0.746E-01
DAV: 11 -0.366424177514E+03 0.35125E-01 -0.27889E-02 336 0.506E-01 0.428E-01
DAV: 12 -0.366390012002E+03 0.34166E-01 -0.19825E-02 327 0.495E-01 0.239E-01
DAV: 13 -0.366381108443E+03 0.89036E-02 -0.20078E-02 327 0.508E-01 0.177E-01
DAV: 14 -0.366389879098E+03 -0.87707E-02 -0.12454E-02 309 0.371E-01 0.134E-01
DAV: 15 -0.366401836539E+03 -0.11957E-01 -0.35938E-03 309 0.207E-01 0.690E-02
DAV: 16 -0.366412543326E+03 -0.10707E-01 -0.30674E-03 318 0.169E-01 0.542E-02
DAV: 17 -0.366419994424E+03 -0.74511E-02 -0.13544E-03 327 0.101E-01 0.494E-02
DAV: 18 -0.366425130156E+03 -0.51357E-02 -0.19637E-04 300 0.329E-02 0.326E-02
DAV: 19 -0.366433596461E+03 -0.84663E-02 -0.66625E-04 318 0.430E-02 0.137E-02
DAV: 20 -0.366436865905E+03 -0.32694E-02 -0.21246E-04 327 0.268E-02 0.131E-02
DAV: 21 -0.366438027464E+03 -0.11616E-02 -0.35527E-05 282 0.122E-02 0.101E-02
DAV: 22 -0.366439063104E+03 -0.10356E-02 -0.65179E-05 300 0.159E-02 0.658E-03
DAV: 23 -0.366439387249E+03 -0.32414E-03 -0.87037E-06 219 0.777E-03 0.456E-03
DAV: 24 -0.366439576707E+03 -0.18946E-03 -0.96246E-06 210 0.694E-03 0.257E-03
DAV: 25 -0.366439666719E+03 -0.90012E-04 -0.25755E-06 228 0.485E-03 0.134E-03
DAV: 26 -0.366439749960E+03 -0.83241E-04 -0.33580E-06 201 0.404E-03 0.158E-03
DAV: 27 -0.366439772236E+03 -0.22275E-04 -0.11138E-06 219 0.273E-03 0.104E-03
DAV: 28 -0.366439803707E+03 -0.31472E-04 -0.17088E-06 201 0.293E-03 0.134E-03
DAV: 29 -0.366439813882E+03 -0.10175E-04 -0.53097E-07 219 0.183E-03 0.789E-04
DAV: 30 -0.366439819776E+03 -0.58936E-05 -0.40145E-07 228 0.143E-03
1 F= -.36643982E+03 E0= -.36644369E+03 d E =0.115958E-01