./iterations/neb0_image06_iter20_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.145107291078E+04 0.14511E+04 -0.44225E+04 330 0.697E+02
DAV: 2 0.227589321586E+03 -0.12235E+04 -0.11472E+04 426 0.163E+02
DAV: 3 -0.365423056635E+03 -0.59301E+03 -0.58972E+03 354 0.114E+02
DAV: 4 -0.433221693330E+03 -0.67799E+02 -0.67544E+02 318 0.490E+01
DAV: 5 -0.434705480335E+03 -0.14838E+01 -0.14813E+01 318 0.757E+00 0.427E+01
DAV: 6 -0.388870559444E+03 0.45835E+02 -0.14843E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385429281161E+03 0.34413E+01 -0.13118E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.383954305470E+03 0.14750E+01 -0.18228E+00 336 0.380E+00 0.425E+00
DAV: 9 -0.383412335430E+03 0.54197E+00 -0.98189E-01 336 0.204E+00 0.978E-01
DAV: 10 -0.383353030178E+03 0.59305E-01 -0.99950E-02 327 0.879E-01 0.798E-01
DAV: 11 -0.383321764717E+03 0.31265E-01 -0.12603E-01 318 0.704E-01 0.719E-01
DAV: 12 -0.383298684569E+03 0.23080E-01 -0.28117E-02 327 0.473E-01 0.492E-01
DAV: 13 -0.383291742740E+03 0.69418E-02 -0.23689E-02 336 0.370E-01 0.352E-01
DAV: 14 -0.383287607807E+03 0.41349E-02 -0.11392E-02 318 0.397E-01 0.558E-01
DAV: 15 -0.383287659719E+03 -0.51912E-04 -0.45485E-02 327 0.285E-01 0.139E-01
DAV: 16 -0.383297519571E+03 -0.98599E-02 -0.50644E-03 291 0.236E-01 0.957E-02
DAV: 17 -0.383310909262E+03 -0.13390E-01 -0.41665E-03 309 0.198E-01 0.571E-02
DAV: 18 -0.383319366011E+03 -0.84567E-02 -0.13511E-03 318 0.107E-01 0.560E-02
DAV: 19 -0.383323884993E+03 -0.45190E-02 -0.24891E-04 345 0.388E-02 0.549E-02
DAV: 20 -0.383332154920E+03 -0.82699E-02 -0.72905E-04 291 0.522E-02 0.280E-02
DAV: 21 -0.383335389801E+03 -0.32349E-02 -0.19396E-04 336 0.295E-02 0.309E-02
DAV: 22 -0.383337436354E+03 -0.20466E-02 -0.14322E-04 309 0.269E-02 0.160E-02
DAV: 23 -0.383338489459E+03 -0.10531E-02 -0.37423E-05 291 0.144E-02 0.156E-02
DAV: 24 -0.383339289756E+03 -0.80030E-03 -0.29587E-05 237 0.113E-02 0.668E-03
DAV: 25 -0.383339832803E+03 -0.54305E-03 -0.28133E-05 273 0.113E-02 0.500E-03
DAV: 26 -0.383339942454E+03 -0.10965E-03 -0.22635E-06 246 0.498E-03 0.313E-03
DAV: 27 -0.383340116616E+03 -0.17416E-03 -0.81032E-06 219 0.687E-03 0.327E-03
DAV: 28 -0.383340171168E+03 -0.54552E-04 -0.16811E-06 228 0.381E-03 0.225E-03
DAV: 29 -0.383340210961E+03 -0.39792E-04 -0.24388E-06 201 0.404E-03 0.137E-03
DAV: 30 -0.383340233265E+03 -0.22304E-04 -0.84850E-07 219 0.246E-03 0.975E-04
DAV: 31 -0.383340248404E+03 -0.15140E-04 -0.59657E-07 219 0.168E-03 0.121E-03
DAV: 32 -0.383340255982E+03 -0.75778E-05 -0.28841E-07 219 0.122E-03
1 F= -.38334026E+03 E0= -.38335337E+03 d E =0.393478E-01