iterations/neb0_image08_iter7_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 0.151093320860E+04 0.15109E+04 -0.43575E+04 322 0.697E+02
DAV: 2 0.254031776341E+03 -0.12569E+04 -0.11792E+04 420 0.164E+02
DAV: 3 -0.354316575621E+03 -0.60835E+03 -0.60406E+03 348 0.117E+02
DAV: 4 -0.432804150318E+03 -0.78488E+02 -0.78134E+02 316 0.535E+01
DAV: 5 -0.434641448205E+03 -0.18373E+01 -0.18343E+01 324 0.825E+00 0.428E+01
DAV: 6 -0.388502780342E+03 0.46139E+02 -0.14883E+02 324 0.285E+01 0.209E+01
DAV: 7 -0.384958535871E+03 0.35442E+01 -0.12867E+01 340 0.781E+00 0.104E+01
DAV: 8 -0.383540443962E+03 0.14181E+01 -0.26533E+00 324 0.395E+00 0.427E+00
DAV: 9 -0.382983218657E+03 0.55723E+00 -0.61281E-01 324 0.195E+00 0.101E+00
DAV: 10 -0.382922631807E+03 0.60587E-01 -0.19037E-01 332 0.106E+00 0.811E-01
DAV: 11 -0.382911977388E+03 0.10654E-01 -0.62901E-02 324 0.473E-01 0.653E-01
DAV: 12 -0.382892957599E+03 0.19020E-01 -0.33390E-02 316 0.387E-01 0.385E-01
DAV: 13 -0.382885800714E+03 0.71569E-02 -0.40142E-02 308 0.371E-01 0.355E-01
DAV: 14 -0.382883646565E+03 0.21541E-02 -0.38337E-02 308 0.328E-01 0.300E-01
DAV: 15 -0.382888934761E+03 -0.52882E-02 -0.13178E-02 308 0.285E-01 0.137E-01
DAV: 16 -0.382898469531E+03 -0.95348E-02 -0.35074E-03 316 0.164E-01 0.105E-01
DAV: 17 -0.382908491275E+03 -0.10022E-01 -0.17014E-03 284 0.104E-01 0.981E-02
DAV: 18 -0.382918073513E+03 -0.95822E-02 -0.19139E-03 308 0.103E-01 0.596E-02
DAV: 19 -0.382925996359E+03 -0.79228E-02 -0.10608E-03 332 0.981E-02 0.826E-02
DAV: 20 -0.382933147453E+03 -0.71511E-02 -0.57659E-04 300 0.631E-02 0.384E-02
DAV: 21 -0.382936820110E+03 -0.36727E-02 -0.29488E-04 324 0.391E-02 0.366E-02
DAV: 22 -0.382938219574E+03 -0.13995E-02 -0.72147E-05 316 0.207E-02 0.148E-02
DAV: 23 -0.382939620959E+03 -0.14014E-02 -0.55680E-05 284 0.137E-02 0.951E-03
DAV: 24 -0.382940493476E+03 -0.87252E-03 -0.47330E-05 276 0.127E-02 0.101E-02
DAV: 25 -0.382940795813E+03 -0.30234E-03 -0.10972E-05 228 0.752E-03 0.320E-03
DAV: 26 -0.382940914129E+03 -0.11832E-03 -0.59645E-06 220 0.510E-03 0.300E-03
DAV: 27 -0.382940988039E+03 -0.73910E-04 -0.31647E-06 212 0.478E-03 0.198E-03
DAV: 28 -0.382941020678E+03 -0.32640E-04 -0.23162E-06 220 0.365E-03 0.183E-03
DAV: 29 -0.382941040523E+03 -0.19845E-04 -0.90802E-07 220 0.236E-03 0.109E-03
DAV: 30 -0.382941058370E+03 -0.17847E-04 -0.95224E-07 212 0.226E-03 0.774E-04
DAV: 31 -0.382941063344E+03 -0.49737E-05 -0.24649E-07 228 0.125E-03
1 F= -.38294106E+03 E0= -.38295437E+03 d E =0.399272E-01