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[Matthieu Verstraete <mjv500@york.ac.uk>]

You really should have precise GS wavefunctions - any errors will be 
amplified in the response function run.

Is your calculation converging? If it is, just increase nstep for the GS 
run, and continue until convergence is reached. Otherwise, consider using 
nbdbuf (and increase nband), or some type of preconditioning (iprcel 45 or 
changing diemac + diemix).

Matthieu

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Dr. Matthieu Verstraete                 mailto:mjv500@york.ac.uk
Dept. of Physics, University of York,     tel: +44 1904 43 22 08
Heslington, YO10 5DD York, United Kingdom fax: +44 1904 43 22 14