iterations/neb0_image03_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 0.144890435138E+04 0.14489E+04 -0.44196E+04 330 0.697E+02
DAV: 2 0.224772388873E+03 -0.12241E+04 -0.11483E+04 435 0.163E+02
DAV: 3 -0.362460544365E+03 -0.58723E+03 -0.58358E+03 345 0.114E+02
DAV: 4 -0.433394534870E+03 -0.70934E+02 -0.70702E+02 309 0.508E+01
DAV: 5 -0.434985527628E+03 -0.15910E+01 -0.15883E+01 318 0.784E+00 0.426E+01
DAV: 6 -0.389052036251E+03 0.45933E+02 -0.14795E+02 318 0.285E+01 0.208E+01
DAV: 7 -0.385603801019E+03 0.34482E+01 -0.13658E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384131391329E+03 0.14724E+01 -0.20502E+00 336 0.383E+00 0.432E+00
DAV: 9 -0.383587281227E+03 0.54411E+00 -0.14869E+00 327 0.240E+00 0.132E+00
DAV: 10 -0.383533166988E+03 0.54114E-01 -0.40256E-01 327 0.115E+00 0.984E-01
DAV: 11 -0.383494262751E+03 0.38904E-01 -0.10981E-01 354 0.643E-01 0.790E-01
DAV: 12 -0.383482175543E+03 0.12087E-01 -0.12861E-01 336 0.720E-01 0.951E-01
DAV: 13 -0.383463667001E+03 0.18509E-01 -0.15707E-01 354 0.529E-01 0.663E-01
DAV: 14 -0.383452233544E+03 0.11433E-01 -0.57889E-02 327 0.376E-01 0.366E-01
DAV: 15 -0.383450335826E+03 0.18977E-02 -0.30143E-02 309 0.400E-01 0.394E-01
DAV: 16 -0.383452994046E+03 -0.26582E-02 -0.20512E-02 336 0.268E-01 0.282E-01
DAV: 17 -0.383459209319E+03 -0.62153E-02 -0.27758E-03 282 0.160E-01 0.164E-01
DAV: 18 -0.383470910854E+03 -0.11702E-01 -0.41007E-03 309 0.206E-01 0.152E-01
DAV: 19 -0.383478247258E+03 -0.73364E-02 -0.25281E-03 363 0.160E-01 0.107E-01
DAV: 20 -0.383481296085E+03 -0.30488E-02 -0.90102E-04 363 0.814E-02 0.117E-01
DAV: 21 -0.383483234224E+03 -0.19381E-02 -0.24388E-04 327 0.541E-02 0.111E-01
DAV: 22 -0.383487130609E+03 -0.38964E-02 -0.15575E-03 444 0.106E-01 0.112E-01
DAV: 23 -0.383488435152E+03 -0.13045E-02 -0.92856E-04 318 0.662E-02 0.618E-02
DAV: 24 -0.383490231248E+03 -0.17961E-02 -0.87458E-04 372 0.899E-02 0.875E-02
DAV: 25 -0.383493624787E+03 -0.33935E-02 -0.38029E-04 300 0.681E-02 0.508E-02
DAV: 26 -0.383495270214E+03 -0.16454E-02 -0.78717E-04 372 0.478E-02 0.462E-02
DAV: 27 -0.383497174606E+03 -0.19044E-02 -0.88498E-04 327 0.478E-02 0.459E-02
DAV: 28 -0.383498520725E+03 -0.13461E-02 -0.48886E-04 327 0.424E-02 0.324E-02
DAV: 29 -0.383498956394E+03 -0.43567E-03 -0.85830E-05 327 0.172E-02 0.175E-02
DAV: 30 -0.383499530165E+03 -0.57377E-03 -0.32926E-05 309 0.122E-02 0.839E-03
DAV: 31 -0.383499797744E+03 -0.26758E-03 -0.71262E-06 237 0.578E-03 0.675E-03
DAV: 32 -0.383500009194E+03 -0.21145E-03 -0.14668E-05 237 0.672E-03 0.613E-03
DAV: 33 -0.383500120449E+03 -0.11125E-03 -0.60827E-06 228 0.442E-03 0.370E-03
DAV: 34 -0.383500160804E+03 -0.40355E-04 -0.31254E-06 228 0.354E-03 0.452E-03
DAV: 35 -0.383500178451E+03 -0.17647E-04 -0.10712E-06 228 0.206E-03 0.313E-03
DAV: 36 -0.383500193171E+03 -0.14720E-04 -0.10414E-06 210 0.221E-03 0.175E-03
DAV: 37 -0.383500205905E+03 -0.12734E-04 -0.12878E-06 219 0.238E-03 0.358E-03
DAV: 38 -0.383500207965E+03 -0.20600E-05 -0.41442E-07 228 0.135E-03
1 F= -.38350021E+03 E0= -.38351693E+03 d E =0.501737E-01