iterations/neb0_image01_iter17_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 0.144731310343E+04 0.14473E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224176520169E+03 -0.12231E+04 -0.11460E+04 435 0.163E+02
DAV: 3 -0.363096874569E+03 -0.58727E+03 -0.58384E+03 345 0.114E+02
DAV: 4 -0.433526619754E+03 -0.70430E+02 -0.70154E+02 318 0.508E+01
DAV: 5 -0.435098749635E+03 -0.15721E+01 -0.15696E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389103250928E+03 0.45995E+02 -0.14809E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385628430556E+03 0.34748E+01 -0.13489E+01 345 0.779E+00 0.104E+01
DAV: 8 -0.384151290090E+03 0.14771E+01 -0.21031E+00 327 0.381E+00 0.432E+00
DAV: 9 -0.383607824813E+03 0.54347E+00 -0.16810E+00 336 0.240E+00 0.137E+00
DAV: 10 -0.383542558643E+03 0.65266E-01 -0.33740E-01 318 0.114E+00 0.105E+00
DAV: 11 -0.383516977718E+03 0.25581E-01 -0.24143E-01 345 0.641E-01 0.989E-01
DAV: 12 -0.383493534049E+03 0.23444E-01 -0.24489E-01 327 0.700E-01 0.898E-01
DAV: 13 -0.383478256376E+03 0.15278E-01 -0.17774E-01 354 0.541E-01 0.732E-01
DAV: 14 -0.383464637551E+03 0.13619E-01 -0.32246E-02 354 0.395E-01 0.389E-01
DAV: 15 -0.383462051638E+03 0.25859E-02 -0.15700E-02 309 0.380E-01 0.270E-01
DAV: 16 -0.383467409330E+03 -0.53577E-02 -0.84479E-03 336 0.260E-01 0.203E-01
DAV: 17 -0.383474467395E+03 -0.70581E-02 -0.27368E-03 291 0.168E-01 0.166E-01
DAV: 18 -0.383482424356E+03 -0.79570E-02 -0.30720E-03 372 0.177E-01 0.135E-01
DAV: 19 -0.383492373503E+03 -0.99491E-02 -0.56184E-03 345 0.180E-01 0.223E-01
DAV: 20 -0.383491246638E+03 0.11269E-02 -0.13777E-03 327 0.868E-02 0.110E-01
DAV: 21 -0.383495419113E+03 -0.41725E-02 -0.57006E-04 300 0.555E-02 0.122E-01
DAV: 22 -0.383501295185E+03 -0.58761E-02 -0.59585E-04 318 0.644E-02 0.568E-02
DAV: 23 -0.383505949648E+03 -0.46545E-02 -0.27791E-04 327 0.434E-02 0.553E-02
DAV: 24 -0.383509317936E+03 -0.33683E-02 -0.14978E-04 300 0.296E-02 0.283E-02
DAV: 25 -0.383511307359E+03 -0.19894E-02 -0.11958E-04 327 0.230E-02 0.210E-02
DAV: 26 -0.383512257296E+03 -0.94994E-03 -0.51713E-05 318 0.171E-02 0.163E-02
DAV: 27 -0.383513001303E+03 -0.74401E-03 -0.28452E-05 273 0.113E-02 0.147E-02
DAV: 28 -0.383513411880E+03 -0.41058E-03 -0.28401E-05 246 0.997E-03 0.569E-03
DAV: 29 -0.383513611407E+03 -0.19953E-03 -0.10460E-05 246 0.779E-03 0.752E-03
DAV: 30 -0.383513763193E+03 -0.15179E-03 -0.58305E-06 201 0.569E-03 0.385E-03
DAV: 31 -0.383513821129E+03 -0.57936E-04 -0.48943E-06 228 0.415E-03 0.283E-03
DAV: 32 -0.383513856386E+03 -0.35257E-04 -0.17656E-06 219 0.314E-03 0.289E-03
DAV: 33 -0.383513889858E+03 -0.33472E-04 -0.14070E-06 210 0.232E-03 0.184E-03
DAV: 34 -0.383513899286E+03 -0.94283E-05 -0.53866E-07 228 0.140E-03
1 F= -.38351390E+03 E0= -.38353056E+03 d E =0.499702E-01