LCOV - code coverage report
Current view: top level - wannier - wann_gwf_auxbrav.F (source / functions) Hit Total Coverage
Test: combined.info Lines: 0 15 0.0 %
Date: 2019-09-08 04:53:50 Functions: 0 1 0.0 %

          Line data    Source code
       1             : c*****************************c
       2             : c  routine to define Bravais  c
       3             : c  in the auxiliary space     c
       4             : c*****************************c
       5             :       module m_wann_gwf_auxbrav
       6             :       implicit none
       7             :       contains
       8             : 
       9           0 :       subroutine wann_gwf_auxbrav(a,l_sgwf,l_socgwf,amat,bmat,l_dim)
      10             :       use m_inv3
      11             :       use m_constants, only : pimach
      12             : 
      13             :       implicit none
      14             :       real,    intent(in)  :: a
      15             :       logical, intent(in)  :: l_sgwf,l_socgwf,l_dim(3)
      16             :       real,    intent(out) :: amat(3,3),bmat(3,3)
      17             :       real :: tpi, omtil,kmesh_tol
      18             : 
      19           0 :       write(*,*)'auxiliary lattice constant a=',a
      20             : 
      21           0 :       tpi = 2.0*pimach()      
      22           0 :       kmesh_tol = 0.001 
      23           0 :       amat = 0.0
      24           0 :       bmat = 0.0
      25             : 
      26           0 :       amat(1,1)=1.1*a; amat(2,2)=1.1*a; amat(3,3)=1.1*a
      27           0 :       if(l_dim(1))amat(1,1)=a
      28           0 :       if(l_dim(2))amat(2,2)=a
      29           0 :       if(l_dim(3))amat(3,3)=a
      30           0 :       if(l_sgwf.or.l_socgwf) then
      31           0 :          amat = amat/2.0
      32             : c         amat(1,1)=amat(1,1)-kmesh_tol
      33             : c         amat(2,2)=amat(2,2)-kmesh_tol
      34             : c         amat(3,3)=amat(3,3)-kmesh_tol
      35             :       endif
      36           0 :       call inv3(amat,bmat,omtil)
      37           0 :       bmat = tpi*bmat
      38             : 
      39             :       !write(*,*)'aux. amat',amat
      40             :       !write(*,*)'aux. bmat',bmat
      41           0 :       end subroutine wann_gwf_auxbrav
      42             : 
      43             :       end module m_wann_gwf_auxbrav

Generated by: LCOV version 1.13