iterations/neb0_image01_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 0.161668476197E+04 0.16167E+04 -0.42275E+04 306 0.697E+02
DAV: 2 0.296227854413E+03 -0.13205E+04 -0.12433E+04 420 0.168E+02
DAV: 3 -0.358024248710E+03 -0.65425E+03 -0.65069E+03 364 0.123E+02
DAV: 4 -0.433509663355E+03 -0.75485E+02 -0.75182E+02 308 0.519E+01
DAV: 5 -0.435221869019E+03 -0.17122E+01 -0.17093E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389143898727E+03 0.46078E+02 -0.15045E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385615274496E+03 0.35286E+01 -0.12381E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384157911409E+03 0.14574E+01 -0.22105E+00 332 0.375E+00 0.430E+00
DAV: 9 -0.383604177686E+03 0.55373E+00 -0.12957E+00 324 0.212E+00 0.107E+00
DAV: 10 -0.383544680569E+03 0.59497E-01 -0.10997E-01 332 0.901E-01 0.780E-01
DAV: 11 -0.383507012280E+03 0.37668E-01 -0.75115E-02 324 0.687E-01 0.523E-01
DAV: 12 -0.383493445726E+03 0.13567E-01 -0.40341E-02 380 0.536E-01 0.631E-01
DAV: 13 -0.383488714184E+03 0.47315E-02 -0.41687E-02 340 0.337E-01 0.358E-01
DAV: 14 -0.383487470197E+03 0.12440E-02 -0.32953E-02 300 0.336E-01 0.472E-01
DAV: 15 -0.383489559308E+03 -0.20891E-02 -0.90286E-03 316 0.261E-01 0.254E-01
DAV: 16 -0.383493884544E+03 -0.43252E-02 -0.95158E-03 340 0.167E-01 0.209E-01
DAV: 17 -0.383503228466E+03 -0.93439E-02 -0.24579E-03 276 0.132E-01 0.107E-01
DAV: 18 -0.383514926752E+03 -0.11698E-01 -0.30336E-03 292 0.121E-01 0.164E-01
DAV: 19 -0.383524795094E+03 -0.98683E-02 -0.24207E-03 300 0.112E-01 0.725E-02
DAV: 20 -0.383530450128E+03 -0.56550E-02 -0.71256E-04 332 0.628E-02 0.714E-02
DAV: 21 -0.383534979614E+03 -0.45295E-02 -0.27622E-04 300 0.360E-02 0.223E-02
DAV: 22 -0.383539603126E+03 -0.46235E-02 -0.28730E-04 316 0.333E-02 0.278E-02
DAV: 23 -0.383541977627E+03 -0.23745E-02 -0.11143E-04 308 0.206E-02 0.130E-02
DAV: 24 -0.383543163652E+03 -0.11860E-02 -0.74791E-05 308 0.167E-02 0.110E-02
DAV: 25 -0.383543836338E+03 -0.67269E-03 -0.26999E-05 260 0.104E-02 0.573E-03
DAV: 26 -0.383544077416E+03 -0.24108E-03 -0.12242E-05 236 0.715E-03 0.369E-03
DAV: 27 -0.383544232680E+03 -0.15526E-03 -0.44406E-06 228 0.486E-03 0.247E-03
DAV: 28 -0.383544309868E+03 -0.77188E-04 -0.28422E-06 212 0.288E-03 0.153E-03
DAV: 29 -0.383544353733E+03 -0.43865E-04 -0.19005E-06 212 0.288E-03 0.231E-03
DAV: 30 -0.383544381293E+03 -0.27560E-04 -0.12775E-06 204 0.198E-03 0.100E-03
DAV: 31 -0.383544387026E+03 -0.57333E-05 -0.48303E-07 228 0.162E-03
1 F= -.38354439E+03 E0= -.38355734E+03 d E =0.388562E-01