Printing Large PDOS

To handle large frophorun.yaml with many Q-points, enormous memory is consumed. Sometimes it is impossible to run. In such the case, you can try MP_REDUCE tag. eigen2dos.f90 in the otherTools direction may help you. If these are not enough, you can calculate the DOS at many Q-points separately and accumulate them later, however, a trick is required. Firstly, calculate and write frophorun.yaml with each Q-point on the mesh. Secondary, create DOS's for each frophorun.yaml by yaml2dos.rb with same --maxFreq, --minFreq and --dE options. Then accumulate DOS's values sampled on exactly same frequency sampling points.

togo 2009-02-12
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