Overwrite nrefd and nclsd with actual values and change allocations accordingly Should be called after nrefd, nclsd have been determined in clsgen_tb
Type | Intent | Optional | Attributes | Name | ||
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integer, | intent(in) | :: | nref |
actual number of reference potentials |
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integer, | intent(inout) | :: | nrefd |
maximal number of reference potentials |
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real(kind=dp), | intent(inout), | dimension (:), allocatable | :: | rmtref |
Muffin-tin radius of reference system |
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real(kind=dp), | intent(inout), | dimension (:), allocatable | :: | vref |
reference potential |
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integer, | intent(in) | :: | ncls |
actual number of clusters |
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integer, | intent(inout) | :: | nclsd |
maximal number of clusters |
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integer, | intent(inout), | dimension(:), allocatable | :: | nacls |
number of atom in cluster |
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real(kind=dp), | intent(inout), | dimension(:, :, :), allocatable | :: | rcls |
real space position of atoms in cluster |