iterations/neb0_image07_iter42_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 0.140355650783E+04 0.14036E+04 -0.43851E+04 330 0.697E+02
DAV: 2 0.230405413225E+03 -0.11732E+04 -0.11008E+04 417 0.161E+02
DAV: 3 -0.327093017112E+03 -0.55750E+03 -0.54926E+03 354 0.112E+02
DAV: 4 -0.400045679975E+03 -0.72953E+02 -0.72133E+02 327 0.492E+01
DAV: 5 -0.401823988187E+03 -0.17783E+01 -0.17721E+01 318 0.807E+00 0.408E+01
DAV: 6 -0.360525131179E+03 0.41299E+02 -0.15304E+02 309 0.288E+01 0.212E+01
DAV: 7 -0.358665052776E+03 0.18601E+01 -0.30362E+01 363 0.101E+01 0.133E+01
DAV: 8 -0.356724744729E+03 0.19403E+01 -0.19029E+01 381 0.759E+00 0.921E+00
DAV: 9 -0.355410758172E+03 0.13140E+01 -0.77213E+00 327 0.410E+00 0.335E+00
DAV: 10 -0.355135432647E+03 0.27533E+00 -0.13225E+00 336 0.223E+00 0.188E+00
DAV: 11 -0.355054142396E+03 0.81290E-01 -0.24515E-01 345 0.111E+00 0.112E+00
DAV: 12 -0.355015396068E+03 0.38746E-01 -0.42129E-02 318 0.508E-01 0.612E-01
DAV: 13 -0.354987729653E+03 0.27666E-01 -0.32158E-02 336 0.434E-01 0.378E-01
DAV: 14 -0.354978002266E+03 0.97274E-02 -0.19010E-02 318 0.368E-01 0.250E-01
DAV: 15 -0.354981660709E+03 -0.36584E-02 -0.10048E-02 318 0.241E-01 0.178E-01
DAV: 16 -0.354989082975E+03 -0.74223E-02 -0.31951E-03 318 0.167E-01 0.111E-01
DAV: 17 -0.355000490694E+03 -0.11408E-01 -0.63236E-03 318 0.213E-01 0.991E-02
DAV: 18 -0.355004630480E+03 -0.41398E-02 -0.25216E-03 336 0.133E-01 0.892E-02
DAV: 19 -0.355008255469E+03 -0.36250E-02 -0.56502E-04 345 0.836E-02 0.835E-02
DAV: 20 -0.355013421801E+03 -0.51663E-02 -0.85767E-04 309 0.732E-02 0.612E-02
DAV: 21 -0.355017890085E+03 -0.44683E-02 -0.49282E-04 318 0.647E-02 0.266E-02
DAV: 22 -0.355022543975E+03 -0.46539E-02 -0.32265E-04 309 0.414E-02 0.201E-02
DAV: 23 -0.355024769415E+03 -0.22254E-02 -0.10696E-04 309 0.223E-02 0.153E-02
DAV: 24 -0.355027178799E+03 -0.24094E-02 -0.11614E-04 300 0.233E-02 0.113E-02
DAV: 25 -0.355028086894E+03 -0.90809E-03 -0.48059E-05 300 0.156E-02 0.810E-03
DAV: 26 -0.355028580369E+03 -0.49347E-03 -0.16722E-05 255 0.938E-03 0.663E-03
DAV: 27 -0.355029005998E+03 -0.42563E-03 -0.17907E-05 237 0.810E-03 0.385E-03
DAV: 28 -0.355029189041E+03 -0.18304E-03 -0.44733E-06 228 0.496E-03 0.329E-03
DAV: 29 -0.355029318075E+03 -0.12903E-03 -0.54063E-06 228 0.489E-03 0.289E-03
DAV: 30 -0.355029374739E+03 -0.56664E-04 -0.20813E-06 219 0.350E-03 0.439E-03
DAV: 31 -0.355029399387E+03 -0.24647E-04 -0.10488E-06 219 0.307E-03 0.174E-03
DAV: 32 -0.355029424479E+03 -0.25092E-04 -0.10630E-06 219 0.195E-03 0.788E-04
DAV: 33 -0.355029434583E+03 -0.10104E-04 -0.36553E-07 219 0.125E-03 0.722E-04
DAV: 34 -0.355029442858E+03 -0.82754E-05 -0.31860E-07 219 0.122E-03
1 F= -.35502944E+03 E0= -.35504201E+03 d E =0.377035E-01