iterations/neb0_image05_iter15_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 0.161974416450E+04 0.16197E+04 -0.42285E+04 306 0.697E+02
DAV: 2 0.300152220202E+03 -0.13196E+04 -0.12416E+04 420 0.168E+02
DAV: 3 -0.358394677012E+03 -0.65855E+03 -0.65502E+03 364 0.123E+02
DAV: 4 -0.433371283044E+03 -0.74977E+02 -0.74700E+02 308 0.528E+01
DAV: 5 -0.435036031782E+03 -0.16647E+01 -0.16621E+01 332 0.807E+00 0.427E+01
DAV: 6 -0.389010391908E+03 0.46026E+02 -0.14969E+02 324 0.286E+01 0.208E+01
DAV: 7 -0.385515299650E+03 0.34951E+01 -0.12750E+01 340 0.773E+00 0.104E+01
DAV: 8 -0.384094357252E+03 0.14209E+01 -0.27309E+00 332 0.389E+00 0.434E+00
DAV: 9 -0.383530165494E+03 0.56419E+00 -0.77341E-01 324 0.202E+00 0.122E+00
DAV: 10 -0.383478089932E+03 0.52076E-01 -0.54084E-01 340 0.107E+00 0.781E-01
DAV: 11 -0.383453036631E+03 0.25053E-01 -0.32673E-02 324 0.486E-01 0.627E-01
DAV: 12 -0.383430550520E+03 0.22486E-01 -0.12372E-01 364 0.670E-01 0.811E-01
DAV: 13 -0.383421409351E+03 0.91412E-02 -0.77442E-02 348 0.418E-01 0.558E-01
DAV: 14 -0.383418288189E+03 0.31212E-02 -0.31066E-02 292 0.303E-01 0.307E-01
DAV: 15 -0.383421626147E+03 -0.33380E-02 -0.84139E-03 316 0.207E-01 0.306E-01
DAV: 16 -0.383432248536E+03 -0.10622E-01 -0.23900E-02 300 0.276E-01 0.221E-01
DAV: 17 -0.383441287397E+03 -0.90389E-02 -0.43899E-03 316 0.189E-01 0.147E-01
DAV: 18 -0.383449520696E+03 -0.82333E-02 -0.13173E-03 284 0.989E-02 0.738E-02
DAV: 19 -0.383459150777E+03 -0.96301E-02 -0.13553E-03 300 0.805E-02 0.633E-02
DAV: 20 -0.383464442497E+03 -0.52917E-02 -0.38401E-04 316 0.536E-02 0.668E-02
DAV: 21 -0.383468310974E+03 -0.38685E-02 -0.25973E-04 340 0.492E-02 0.331E-02
DAV: 22 -0.383472948196E+03 -0.46372E-02 -0.29978E-04 316 0.336E-02 0.284E-02
DAV: 23 -0.383474461254E+03 -0.15131E-02 -0.75550E-05 300 0.197E-02 0.971E-03
DAV: 24 -0.383476094548E+03 -0.16333E-02 -0.88400E-05 300 0.195E-02 0.902E-03
DAV: 25 -0.383476592206E+03 -0.49766E-03 -0.14462E-05 236 0.935E-03 0.560E-03
DAV: 26 -0.383476990925E+03 -0.39872E-03 -0.24286E-05 236 0.856E-03 0.444E-03
DAV: 27 -0.383477120592E+03 -0.12967E-03 -0.35967E-06 228 0.510E-03 0.200E-03
DAV: 28 -0.383477206319E+03 -0.85727E-04 -0.40265E-06 204 0.435E-03 0.274E-03
DAV: 29 -0.383477258409E+03 -0.52090E-04 -0.17193E-06 220 0.384E-03 0.120E-03
DAV: 30 -0.383477291721E+03 -0.33312E-04 -0.25418E-06 212 0.370E-03 0.268E-03
DAV: 31 -0.383477307024E+03 -0.15303E-04 -0.71985E-07 220 0.245E-03 0.141E-03
DAV: 32 -0.383477312606E+03 -0.55820E-05 -0.93518E-07 228 0.245E-03
1 F= -.38347731E+03 E0= -.38349055E+03 d E =0.397268E-01