iterations/neb0_image05_iter4_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 0.161945964389E+04 0.16195E+04 -0.42282E+04 306 0.697E+02
DAV: 2 0.300075188616E+03 -0.13194E+04 -0.12414E+04 420 0.168E+02
DAV: 3 -0.358324639877E+03 -0.65840E+03 -0.65484E+03 364 0.123E+02
DAV: 4 -0.433316375413E+03 -0.74992E+02 -0.74714E+02 308 0.528E+01
DAV: 5 -0.434983904525E+03 -0.16675E+01 -0.16648E+01 340 0.807E+00 0.426E+01
DAV: 6 -0.389004219700E+03 0.45980E+02 -0.14974E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385511899790E+03 0.34923E+01 -0.12594E+01 340 0.770E+00 0.104E+01
DAV: 8 -0.384085797326E+03 0.14261E+01 -0.26868E+00 332 0.389E+00 0.430E+00
DAV: 9 -0.383512564215E+03 0.57323E+00 -0.61673E-01 332 0.195E+00 0.106E+00
DAV: 10 -0.383471006006E+03 0.41558E-01 -0.46819E-01 332 0.117E+00 0.118E+00
DAV: 11 -0.383442145062E+03 0.28861E-01 -0.17232E-01 316 0.565E-01 0.764E-01
DAV: 12 -0.383434472249E+03 0.76728E-02 -0.66309E-02 332 0.370E-01 0.572E-01
DAV: 13 -0.383419824847E+03 0.14647E-01 -0.99903E-02 316 0.473E-01 0.575E-01
DAV: 14 -0.383411316697E+03 0.85081E-02 -0.52174E-02 308 0.335E-01 0.218E-01
DAV: 15 -0.383413784681E+03 -0.24680E-02 -0.89549E-03 300 0.274E-01 0.199E-01
DAV: 16 -0.383423229641E+03 -0.94450E-02 -0.32195E-03 300 0.169E-01 0.129E-01
DAV: 17 -0.383438289706E+03 -0.15060E-01 -0.38391E-03 300 0.176E-01 0.711E-02
DAV: 18 -0.383445880718E+03 -0.75910E-02 -0.20806E-03 324 0.120E-01 0.767E-02
DAV: 19 -0.383452583205E+03 -0.67025E-02 -0.55238E-04 308 0.534E-02 0.555E-02
DAV: 20 -0.383461451420E+03 -0.88682E-02 -0.69852E-04 308 0.519E-02 0.303E-02
DAV: 21 -0.383464690482E+03 -0.32391E-02 -0.12743E-04 316 0.271E-02 0.245E-02
DAV: 22 -0.383467571699E+03 -0.28812E-02 -0.21030E-04 308 0.304E-02 0.165E-02
DAV: 23 -0.383469209245E+03 -0.16375E-02 -0.80638E-05 308 0.201E-02 0.102E-02
DAV: 24 -0.383469927556E+03 -0.71831E-03 -0.28320E-05 268 0.132E-02 0.749E-03
DAV: 25 -0.383470573684E+03 -0.64613E-03 -0.26813E-05 260 0.135E-02 0.671E-03
DAV: 26 -0.383470877134E+03 -0.30345E-03 -0.19335E-05 260 0.124E-02 0.733E-03
DAV: 27 -0.383470974078E+03 -0.96944E-04 -0.97143E-06 260 0.964E-03 0.661E-03
DAV: 28 -0.383471016357E+03 -0.42279E-04 -0.39474E-06 212 0.709E-03 0.557E-03
DAV: 29 -0.383471039733E+03 -0.23377E-04 -0.44013E-06 228 0.579E-03 0.494E-03
DAV: 30 -0.383471084367E+03 -0.44634E-04 -0.46291E-06 220 0.973E-03 0.581E-03
DAV: 31 -0.383471129394E+03 -0.45027E-04 -0.21185E-05 284 0.156E-02 0.592E-03
DAV: 32 -0.383471147973E+03 -0.18579E-04 -0.17575E-05 268 0.126E-02 0.475E-03
DAV: 33 -0.383471148510E+03 -0.53742E-06 -0.74685E-06 220 0.153E-02
1 F= -.38347115E+03 E0= -.38348490E+03 d E =0.412627E-01