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rwfestimate90 #104

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mzmansour opened this issue Mar 8, 2023 · 0 comments
Open

rwfestimate90 #104

mzmansour opened this issue Mar 8, 2023 · 0 comments

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@mzmansour
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I had a solution of Dirac equation equation for each orbital ( P(r) and Q(r) ) and want to plug the solution into GRASP, I found that a paramter called (PZ) in file
rwfnestimate90/solvh.f90
at line 207
PZ(IORB) = PZ(IORB)/SQRT(DNORM)
should be determined

Could any one give/refer to a formula for it?
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@mzmansour