[Pw_forum] Definition of the projector function output in the "file_beta" file by LD1.
Wei Chen (weic@Princeton.EDU)
weic at Princeton.EDU
Thu May 8 23:39:29 CEST 2008
Dear Paolo:
I am wondering about the definition of the projector function output in the "file_beta" file produced by LD1. Is it defined as the TRUE beta function multiplied by r ? (Just like the AE and PS radial wavefunctions output in ld1.wfc and ld1ps.wfc are actually the TRUE radial wavefunctions multiplied by r. )
I guess this is the case, because the true projector function needs to satisfy < projector_i | \phi^PS_j > = \delta_ij.
where \phi^PS_j is the PS partial wave.
I checked with the output of "file_beta" (\beta_i ), and ld1ps.wfc (\phi^PS_j), and I found the following is true:
\int (\beta_i / r ) * (\phi^PS_i / r ) * r^2 dr = 1
Am I right about the output in the "file_beta" file?
Thank you very much for your kind clarification and help!
Wei Chen
Email: weic at princeton.edu
Princeton University
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