iterations/neb0_image08_iter17_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.150961815336E+04 0.15096E+04 -0.43562E+04 322 0.697E+02
DAV: 2 0.253059869627E+03 -0.12566E+04 -0.11790E+04 420 0.164E+02
DAV: 3 -0.357540272198E+03 -0.61060E+03 -0.60614E+03 356 0.117E+02
DAV: 4 -0.432907157317E+03 -0.75367E+02 -0.75022E+02 316 0.517E+01
DAV: 5 -0.434632963947E+03 -0.17258E+01 -0.17228E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.388602499298E+03 0.46030E+02 -0.14958E+02 316 0.286E+01 0.209E+01
DAV: 7 -0.385071131500E+03 0.35314E+01 -0.12422E+01 332 0.774E+00 0.104E+01
DAV: 8 -0.383654446471E+03 0.14167E+01 -0.24415E+00 332 0.389E+00 0.429E+00
DAV: 9 -0.383116007629E+03 0.53844E+00 -0.85704E-01 332 0.201E+00 0.117E+00
DAV: 10 -0.383057235384E+03 0.58772E-01 -0.31791E-01 340 0.997E-01 0.827E-01
DAV: 11 -0.383028550788E+03 0.28685E-01 -0.38117E-02 316 0.498E-01 0.597E-01
DAV: 12 -0.383024688152E+03 0.38626E-02 -0.23218E-01 356 0.613E-01 0.106E+00
DAV: 13 -0.383001482561E+03 0.23206E-01 -0.19274E-01 308 0.464E-01 0.370E-01
DAV: 14 -0.383003459499E+03 -0.19769E-02 -0.15691E-02 332 0.252E-01 0.213E-01
DAV: 15 -0.383008460525E+03 -0.50010E-02 -0.20298E-02 332 0.273E-01 0.314E-01
DAV: 16 -0.383014520102E+03 -0.60596E-02 -0.17926E-02 316 0.226E-01 0.177E-01
DAV: 17 -0.383024663376E+03 -0.10143E-01 -0.24681E-03 292 0.141E-01 0.915E-02
DAV: 18 -0.383037107180E+03 -0.12444E-01 -0.24956E-03 284 0.127E-01 0.934E-02
DAV: 19 -0.383043816601E+03 -0.67094E-02 -0.99519E-04 324 0.801E-02 0.485E-02
DAV: 20 -0.383050136099E+03 -0.63195E-02 -0.43672E-04 308 0.509E-02 0.405E-02
DAV: 21 -0.383054810296E+03 -0.46742E-02 -0.20131E-04 308 0.331E-02 0.315E-02
DAV: 22 -0.383058539339E+03 -0.37290E-02 -0.21763E-04 300 0.289E-02 0.130E-02
DAV: 23 -0.383060018948E+03 -0.14796E-02 -0.65979E-05 308 0.172E-02 0.782E-03
DAV: 24 -0.383060797435E+03 -0.77849E-03 -0.30207E-05 252 0.116E-02 0.627E-03
DAV: 25 -0.383061302038E+03 -0.50460E-03 -0.22123E-05 244 0.101E-02 0.343E-03
DAV: 26 -0.383061472882E+03 -0.17084E-03 -0.92464E-06 228 0.768E-03 0.377E-03
DAV: 27 -0.383061557034E+03 -0.84152E-04 -0.29370E-06 220 0.546E-03 0.244E-03
DAV: 28 -0.383061614054E+03 -0.57020E-04 -0.35052E-06 212 0.459E-03 0.213E-03
DAV: 29 -0.383061650971E+03 -0.36918E-04 -0.12947E-06 212 0.382E-03 0.732E-04
DAV: 30 -0.383061677597E+03 -0.26626E-04 -0.19572E-06 220 0.316E-03 0.198E-03
DAV: 31 -0.383061683266E+03 -0.56694E-05 -0.36627E-07 228 0.223E-03
1 F= -.38306168E+03 E0= -.38307480E+03 d E =0.393542E-01