Commit 2458751f authored by Lorenzo Paulatto's avatar Lorenzo Paulatto

Little fixes for gfortran compatibility

parent 32e0fc4c
......@@ -739,7 +739,7 @@ SUBROUTINE remake_cell(ibrav, alat, a1,a2,a3)
REAL(DP) :: celldm_internal(6), lat_internal, omega
! ibrav = at2ibrav (a(:,1), a(:,2), a(:,3))
CALL at2celldm (ibrav,alat,a1, a2, a3,celldm_internal)
WRITE(stdout,'("ibrav = ",i)') ibrav
WRITE(stdout,'("ibrav = ",i6)') ibrav
WRITE(stdout,'(" celldm(1) = ",f15.8)') celldm_internal(1)
IF( celldm_internal(2) /= 0._dp) WRITE(*,'(" celldm(2) = ",f15.8)') celldm_internal(2)
IF( celldm_internal(3) /= 0._dp) WRITE(*,'(" celldm(3) = ",f15.8)') celldm_internal(3)
......
......@@ -26,7 +26,7 @@ SUBROUTINE move_ions ( idone, ions_status )
USE io_files, ONLY : tmp_dir
USE kinds, ONLY : DP
USE cell_base, ONLY : alat, at, bg, omega, cell_force, &
fix_volume, fix_area
fix_volume, fix_area, ibrav
USE cellmd, ONLY : omega_old, at_old, press, lmovecell, calc
USE ions_base, ONLY : nat, ityp, zv, tau, if_pos
USE symm_base, ONLY : checkallsym
......@@ -124,8 +124,10 @@ SUBROUTINE move_ions ( idone, ions_status )
if (fix_volume) call impose_deviatoric_strain(alat*at, h)
if (fix_area) call impose_deviatoric_strain_2d(alat*at, h)
at = h /alat
CALL remake_cell(ibrav, alat, at(1,1),at(1,2),at(1,3))
CALL recips( at(1,1),at(1,2),at(1,3), bg(1,1),bg(1,2),bg(1,3) )
CALL volume( alat, at(1,1), at(1,2), at(1,3), omega )
END IF
!
CALL cryst_to_cart( nat, pos, at, 1 )
......
......@@ -28,7 +28,7 @@ PROGRAM ibrav2cell
ibrav = at2ibrav (a(:,1), a(:,2), a(:,3))
celldm = 0._dp
CALL at2celldm (ibrav,alat,a(:,1), a(:,2), a(:,3),celldm)
WRITE(*,'("ibrav = ",i)') ibrav
WRITE(*,'("ibrav = ",i6)') ibrav
WRITE(*,'(" celldm(1) = ",f15.8)') celldm(1)
IF( celldm(2) /= 0._dp) WRITE(*,'(" celldm(2) = ",f15.8)') celldm(2)
IF( celldm(3) /= 0._dp) WRITE(*,'(" celldm(3) = ",f15.8)') celldm(3)
......
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment