Dear Prof. Blaha, Thank you vey much your suggestions. We have used FFTW3 for fftwpack library and the problem for NANs for the WARPING are solved. The calculations are running fine.
Thanking you sir. Regards Yedukondalu -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20121002/3a7c7485/attachment.htm>
