Ply

Lafarie-Frenot, M.C. and Henaff-Gardin, C., Formation and Growth of 90° Ply Fatigue Cracks in Carbon/Epoxy Laminates , Composites Science and Technology Vol. 40, p. 307-324, 1991... 

You can usually use the default values. If the calculation exceeds the iteration limit before it reaches the convergcriec limit, llieti th ere is m osl I ikely con vergeri ce failti re. Sim ply in creasin g tli e limits is un likely to help, I ll e nils COM vergeii ce accelerator, (see SCF Convergence on page 47), wli ich is available for all the SCF... 

Once the least-squares fits to Slater functions with orbital exponents e = 1.0 are available, fits to Slater function s with oth er orbital expon cn ts can be obtained by siin ply m ii Itiplyin g th e cc s in th e above three equations by It remains to be determined what Slater orbital exponents to use in electronic structure calculation s. The two possibilities may be to use the "best atom" exponents (e = 1. f) for II. for exam pie) or to opiim i/e exponents in each calculation. The "best atom expon en ts m igh t be a rather poor ch oicc for mo lecular en viron men ts, and optirn i/.at ion of non linear exponents is not practical for large molecules, where the dimension of the space to be searched is very large.. 4 com prom isc is to use a set of standard exponents where the average values of expon en ts are optirn i/ed for a set of sin all rn olecules, fh e recom -mended STO-3G exponents are... 

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