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Viewing changes to src/cellxc.F90

  • Committer: Alberto Garcia
  • Date: 2018-10-31 17:29:31 UTC
  • mfrom: (30.2.10 libgridxc)
  • Revision ID: albertog@icmab.es-20181031172931-ck7gqooaftfvzqv3
Sync to trunk-40

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src/cellxc.F90
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        ELSE
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          xc_ispin = XC_POLARIZED
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        ENDIF
 
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        if ((irel == 1) .and. (xc_id == 1)) then
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#ifdef LIBXC4
 
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#include "xc_version.h"
 
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#if    XC_MAJOR_VERSION == 4           
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           ! Change LDA_X to LDA_X_REL (532)
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           ! This was introduced in libXC v4
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           xc_id = 532
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          ! general function, and include the default 4/3 factor
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          ! that gives standard exchange (implicit in the above
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          ! initialization call)
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           call xc_f90_lda_x_set_par(xc_func(nf), 4.0_dp/3.0_dp,    &
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                                     XC_RELATIVISTIC, 0.0_dp)
 
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           call xc_f90_lda_x_set_par(xc_func(nf), 4.0_dp/3.0_dp,   &
 
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                                    XC_RELATIVISTIC, 0.0_dp)
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#endif
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        endif
 
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        is_libxc(nf) = .true.
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#else
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        call die("Libxc not compiled in. Cannot handle "// trim(XCauth(nf)))