iterations/neb0_image06_iter29_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 0.144987737973E+04 0.14499E+04 -0.44219E+04 330 0.697E+02
DAV: 2 0.227135541407E+03 -0.12227E+04 -0.11464E+04 426 0.163E+02
DAV: 3 -0.365394230715E+03 -0.59253E+03 -0.58923E+03 354 0.114E+02
DAV: 4 -0.433176442774E+03 -0.67782E+02 -0.67529E+02 318 0.490E+01
DAV: 5 -0.434663579243E+03 -0.14871E+01 -0.14847E+01 318 0.757E+00 0.426E+01
DAV: 6 -0.388894451647E+03 0.45769E+02 -0.14825E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385469485225E+03 0.34250E+01 -0.13165E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.383992048096E+03 0.14774E+01 -0.18184E+00 327 0.379E+00 0.430E+00
DAV: 9 -0.383468975988E+03 0.52307E+00 -0.14281E+00 336 0.221E+00 0.109E+00
DAV: 10 -0.383398163388E+03 0.70813E-01 -0.11937E-01 336 0.938E-01 0.873E-01
DAV: 11 -0.383354713106E+03 0.43450E-01 -0.92805E-02 336 0.780E-01 0.661E-01
DAV: 12 -0.383335440339E+03 0.19273E-01 -0.18140E-02 336 0.472E-01 0.443E-01
DAV: 13 -0.383324727454E+03 0.10713E-01 -0.98761E-03 345 0.358E-01 0.321E-01
DAV: 14 -0.383322564235E+03 0.21632E-02 -0.40173E-02 318 0.375E-01 0.574E-01
DAV: 15 -0.383322533787E+03 0.30448E-04 -0.63075E-02 336 0.286E-01 0.281E-01
DAV: 16 -0.383325586253E+03 -0.30525E-02 -0.79124E-03 291 0.193E-01 0.149E-01
DAV: 17 -0.383335585671E+03 -0.99994E-02 -0.40547E-03 291 0.181E-01 0.968E-02
DAV: 18 -0.383345229440E+03 -0.96438E-02 -0.25891E-03 327 0.150E-01 0.125E-01
DAV: 19 -0.383355292311E+03 -0.10063E-01 -0.29192E-03 318 0.132E-01 0.958E-02
DAV: 20 -0.383361510035E+03 -0.62177E-02 -0.68044E-04 318 0.677E-02 0.823E-02
DAV: 21 -0.383365128507E+03 -0.36185E-02 -0.21986E-04 336 0.314E-02 0.366E-02
DAV: 22 -0.383369584698E+03 -0.44562E-02 -0.23933E-04 291 0.312E-02 0.131E-02
DAV: 23 -0.383371842205E+03 -0.22575E-02 -0.12397E-04 345 0.201E-02 0.213E-02
DAV: 24 -0.383373277666E+03 -0.14355E-02 -0.83674E-05 282 0.153E-02 0.738E-03
DAV: 25 -0.383373738956E+03 -0.46129E-03 -0.16952E-05 237 0.769E-03 0.547E-03
DAV: 26 -0.383374067903E+03 -0.32895E-03 -0.13731E-05 219 0.630E-03 0.244E-03
DAV: 27 -0.383374215920E+03 -0.14802E-03 -0.51266E-06 228 0.448E-03 0.382E-03
DAV: 28 -0.383374309191E+03 -0.93271E-04 -0.38351E-06 201 0.410E-03 0.154E-03
DAV: 29 -0.383374340933E+03 -0.31742E-04 -0.17838E-06 219 0.274E-03 0.228E-03
DAV: 30 -0.383374362654E+03 -0.21721E-04 -0.13224E-06 219 0.239E-03 0.128E-03
DAV: 31 -0.383374370690E+03 -0.80358E-05 -0.47857E-07 219 0.126E-03
1 F= -.38337437E+03 E0= -.38339126E+03 d E =0.506556E-01