iterations/neb0_image04_iter21_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 0.161895305672E+04 0.16190E+04 -0.42281E+04 306 0.697E+02
DAV: 2 0.298041795805E+03 -0.13209E+04 -0.12420E+04 420 0.168E+02
DAV: 3 -0.354104330745E+03 -0.65215E+03 -0.64855E+03 356 0.123E+02
DAV: 4 -0.433263940094E+03 -0.79160E+02 -0.78818E+02 316 0.540E+01
DAV: 5 -0.435107912989E+03 -0.18440E+01 -0.18417E+01 340 0.830E+00 0.427E+01
DAV: 6 -0.389065453450E+03 0.46042E+02 -0.15050E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385568533821E+03 0.34969E+01 -0.12511E+01 340 0.769E+00 0.104E+01
DAV: 8 -0.384134500347E+03 0.14340E+01 -0.24965E+00 332 0.386E+00 0.431E+00
DAV: 9 -0.383585610581E+03 0.54889E+00 -0.94845E-01 324 0.203E+00 0.111E+00
DAV: 10 -0.383513418740E+03 0.72192E-01 -0.17634E-01 340 0.973E-01 0.826E-01
DAV: 11 -0.383492022323E+03 0.21396E-01 -0.69065E-02 316 0.486E-01 0.671E-01
DAV: 12 -0.383479503546E+03 0.12519E-01 -0.24116E-01 316 0.538E-01 0.477E-01
DAV: 13 -0.383471835750E+03 0.76678E-02 -0.19759E-02 324 0.345E-01 0.437E-01
DAV: 14 -0.383471712673E+03 0.12308E-03 -0.52568E-02 332 0.379E-01 0.474E-01
DAV: 15 -0.383472477061E+03 -0.76439E-03 -0.29879E-02 340 0.321E-01 0.272E-01
DAV: 16 -0.383476264676E+03 -0.37876E-02 -0.36243E-03 340 0.171E-01 0.206E-01
DAV: 17 -0.383481722114E+03 -0.54574E-02 -0.26416E-03 308 0.118E-01 0.112E-01
DAV: 18 -0.383491930496E+03 -0.10208E-01 -0.18282E-03 300 0.120E-01 0.842E-02
DAV: 19 -0.383502320950E+03 -0.10390E-01 -0.16711E-03 308 0.119E-01 0.161E-01
DAV: 20 -0.383506516411E+03 -0.41955E-02 -0.67948E-04 316 0.757E-02 0.617E-02
DAV: 21 -0.383512278555E+03 -0.57621E-02 -0.56830E-04 300 0.453E-02 0.360E-02
DAV: 22 -0.383516882670E+03 -0.46041E-02 -0.26353E-04 316 0.344E-02 0.233E-02
DAV: 23 -0.383519989925E+03 -0.31073E-02 -0.18097E-04 300 0.284E-02 0.120E-02
DAV: 24 -0.383521862244E+03 -0.18723E-02 -0.97361E-05 308 0.196E-02 0.287E-02
DAV: 25 -0.383522829039E+03 -0.96679E-03 -0.52709E-05 276 0.225E-02 0.203E-02
DAV: 26 -0.383523230613E+03 -0.40157E-03 -0.34111E-05 284 0.135E-02 0.937E-03
DAV: 27 -0.383523292356E+03 -0.61743E-04 -0.24228E-06 244 0.504E-03 0.553E-03
DAV: 28 -0.383523512780E+03 -0.22042E-03 -0.13998E-05 204 0.946E-03 0.385E-03
DAV: 29 -0.383523561844E+03 -0.49064E-04 -0.26858E-06 236 0.406E-03 0.294E-03
DAV: 30 -0.383523613504E+03 -0.51659E-04 -0.16089E-06 196 0.332E-03 0.170E-03
DAV: 31 -0.383523646432E+03 -0.32928E-04 -0.20384E-06 220 0.366E-03 0.156E-03
DAV: 32 -0.383523661845E+03 -0.15413E-04 -0.51561E-07 220 0.175E-03 0.106E-03
DAV: 33 -0.383523674145E+03 -0.12301E-04 -0.69861E-07 212 0.199E-03 0.632E-04
DAV: 34 -0.383523676303E+03 -0.21576E-05 -0.16239E-07 228 0.101E-03
1 F= -.38352368E+03 E0= -.38353695E+03 d E =0.398297E-01