Hi all, I was running a vc_relax calculation until it got aborted due to the following error :- * Not enough space allocated for radial FFT: try restarting with a larger cell_factor.* I found on the QE website that this error is encountered when the cell expands too much. But in my job the cell volume is decreasing with every iteration. I wanted to know how to choose the value of cell_factor and how does its value affects the computational effort(if it does). Should I decrease the cell_factor instead of increasing it or should I (as suggested) start off with a larger cell ? Thank You.
Regards, Vishal Gupta B.Tech. 3rd year Mechanical Indian Institute of Technology Ropar Rupnagar (140001), Punjab, India. Email :- [email protected] RMML, IIT Ropar <https://sites.google.com/a/iitrpr.ac.in/ropar-mechanics-of-materials-laboratory/people>
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