./iterations/neb0_image05_iter17_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.151222151576E+04 0.15122E+04 -0.43538E+04 322 0.697E+02
DAV: 2 0.253004190194E+03 -0.12592E+04 -0.11818E+04 428 0.164E+02
DAV: 3 -0.356668175217E+03 -0.60967E+03 -0.60585E+03 356 0.118E+02
DAV: 4 -0.433100480727E+03 -0.76432E+02 -0.76106E+02 308 0.521E+01
DAV: 5 -0.434891483045E+03 -0.17910E+01 -0.17876E+01 332 0.810E+00 0.426E+01
DAV: 6 -0.389089950707E+03 0.45802E+02 -0.14894E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385624571408E+03 0.34654E+01 -0.12497E+01 340 0.779E+00 0.104E+01
DAV: 8 -0.384209295234E+03 0.14153E+01 -0.22039E+00 332 0.380E+00 0.421E+00
DAV: 9 -0.383637151037E+03 0.57214E+00 -0.64180E-01 332 0.199E+00 0.929E-01
DAV: 10 -0.383587198679E+03 0.49952E-01 -0.13161E-01 348 0.913E-01 0.725E-01
DAV: 11 -0.383567465932E+03 0.19733E-01 -0.63696E-02 316 0.447E-01 0.607E-01
DAV: 12 -0.383547762181E+03 0.19704E-01 -0.89756E-02 332 0.448E-01 0.434E-01
DAV: 13 -0.383539377634E+03 0.83845E-02 -0.75796E-02 316 0.474E-01 0.674E-01
DAV: 14 -0.383534175005E+03 0.52026E-02 -0.54684E-02 332 0.272E-01 0.202E-01
DAV: 15 -0.383540479966E+03 -0.63050E-02 -0.57145E-03 292 0.274E-01 0.146E-01
DAV: 16 -0.383551046573E+03 -0.10567E-01 -0.58064E-03 308 0.264E-01 0.106E-01
DAV: 17 -0.383561065383E+03 -0.10019E-01 -0.32275E-03 324 0.208E-01 0.837E-02
DAV: 18 -0.383570384664E+03 -0.93193E-02 -0.15782E-03 332 0.153E-01 0.643E-02
DAV: 19 -0.383575853412E+03 -0.54687E-02 -0.84114E-04 356 0.976E-02 0.488E-02
DAV: 20 -0.383579768712E+03 -0.39153E-02 -0.27384E-04 356 0.668E-02 0.450E-02
DAV: 21 -0.383581248457E+03 -0.14797E-02 -0.23061E-04 324 0.493E-02 0.475E-02
DAV: 22 -0.383581006061E+03 0.24240E-03 -0.90435E-05 324 0.379E-02 0.482E-02
DAV: 23 -0.383580735158E+03 0.27090E-03 -0.69693E-04 372 0.115E-01 0.476E-02
DAV: 24 -0.383581952154E+03 -0.12170E-02 -0.14058E-03 380 0.124E-01 0.456E-02
DAV: 25 -0.383582035654E+03 -0.83500E-04 -0.37717E-04 324 0.452E-02 0.416E-02
DAV: 26 -0.383582512118E+03 -0.47646E-03 -0.47592E-05 284 0.423E-02 0.432E-02
DAV: 27 -0.383582544827E+03 -0.32708E-04 -0.17808E-04 324 0.882E-02 0.454E-02
DAV: 28 -0.383582482561E+03 0.62266E-04 -0.37098E-04 356 0.663E-02 0.455E-02
DAV: 29 -0.383582249895E+03 0.23267E-03 -0.30509E-04 404 0.732E-02 0.541E-02
DAV: 30 -0.383585717681E+03 -0.34678E-02 -0.47231E-03 332 0.412E-01 0.859E-02
DAV: 31 -0.383594885366E+03 -0.91677E-02 -0.18284E-02 372 0.619E-01 0.238E-01
DAV: 32 -0.383591849870E+03 0.30355E-02 -0.74739E-03 308 0.337E-01 0.162E-01
DAV: 33 -0.383591437685E+03 0.41218E-03 -0.16712E-03 356 0.100E-01 0.135E-01
DAV: 34 -0.383591002012E+03 0.43567E-03 -0.25916E-04 420 0.775E-02 0.115E-01
DAV: 35 -0.383590128688E+03 0.87332E-03 -0.28312E-03 380 0.348E-01 0.646E-02
DAV: 36 -0.383589301511E+03 0.82718E-03 -0.94606E-03 380 0.397E-01 0.110E-01
DAV: 37 -0.383588358577E+03 0.94293E-03 -0.80593E-03 340 0.275E-01 0.105E-01
DAV: 38 -0.383588505879E+03 -0.14730E-03 -0.18424E-03 316 0.101E-01 0.831E-02
DAV: 39 -0.383588479253E+03 0.26626E-04 -0.35585E-05 332 0.120E-02 0.832E-02
DAV: 40 -0.383588532633E+03 -0.53381E-04 -0.45271E-06 204 0.593E-03 0.838E-02
DAV: 41 -0.383588334299E+03 0.19833E-03 -0.13837E-04 284 0.369E-02 0.725E-02
DAV: 42 -0.383588386489E+03 -0.52190E-04 -0.20552E-05 244 0.104E-02 0.746E-02
DAV: 43 -0.383588371497E+03 0.14992E-04 -0.16058E-05 204 0.115E-02 0.714E-02
DAV: 44 -0.383588590847E+03 -0.21935E-03 -0.14398E-04 284 0.318E-02 0.817E-02
DAV: 45 -0.383588647614E+03 -0.56767E-04 -0.57227E-05 300 0.204E-02 0.841E-02
DAV: 46 -0.383588706930E+03 -0.59316E-04 -0.12494E-05 244 0.117E-02 0.868E-02
DAV: 47 -0.383588688130E+03 0.18800E-04 -0.50173E-06 196 0.580E-03 0.859E-02
DAV: 48 -0.383588966532E+03 -0.27840E-03 -0.11960E-04 268 0.385E-02 0.928E-02
DAV: 49 -0.383589077191E+03 -0.11066E-03 -0.50022E-05 324 0.178E-02 0.996E-02
DAV: 50 -0.383589085567E+03 -0.83759E-05 -0.64237E-06 220 0.645E-03
1 F= -.38358909E+03 E0= -.38360763E+03 d E =0.556363E-01