mirror of https://gitlab.com/QEF/q-e.git
"informations" => "information"
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8402 c92efa57-630b-4861-b058-cf58834340f0
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@ -269,7 +269,7 @@ input_description -distribution {Quantum Espresso} -package CP -program cp.x {
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'high', 'default'
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'high', 'default'
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'high': CP code will write Kohn-Sham wf files and additional
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'high': CP code will write Kohn-Sham wf files and additional
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informations in data-file.xml in order to restart
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information in data-file.xml in order to restart
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with a PW calculation or to use postprocessing tools.
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with a PW calculation or to use postprocessing tools.
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}
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}
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}
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}
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@ -153,7 +153,7 @@
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SUBROUTINE cutoffs_print_info()
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SUBROUTINE cutoffs_print_info()
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! Print out informations about different cut-offs
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! Print out information about different cut-offs
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USE gvecw, ONLY: ecutwfc, gcutw
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USE gvecw, ONLY: ecutwfc, gcutw
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USE gvect, ONLY: ecutrho, gcutm
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USE gvect, ONLY: ecutrho, gcutm
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@ -61,7 +61,7 @@
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TYPE(green) :: gr!the green function on output
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TYPE(green) :: gr!the green function on output
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TYPE(wannier_u) :: wu!data on U and e_i
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TYPE(wannier_u) :: wu!data on U and e_i
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REAL(kind=DP) :: time!imaginary time
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REAL(kind=DP) :: time!imaginary time
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LOGICAL :: debug!if true print debug informations on stdout
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LOGICAL :: debug!if true print debug information on stdout
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LOGICAL :: zero_time_neg!if true and time==0, the negative form is forced
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LOGICAL :: zero_time_neg!if true and time==0, the negative form is forced
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LOGICAL, INTENT(in) :: l_hf_energies!if true uses HF energies
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LOGICAL, INTENT(in) :: l_hf_energies!if true uses HF energies
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REAL(kind=DP), INTENT(in) :: ene_hf(:)
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REAL(kind=DP), INTENT(in) :: ene_hf(:)
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@ -164,7 +164,7 @@
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TYPE(green) :: gr!the green function on output
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TYPE(green) :: gr!the green function on output
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TYPE(wannier_u) :: wu!data on U and e_i
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TYPE(wannier_u) :: wu!data on U and e_i
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REAL(kind=DP) :: time!imaginary time
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REAL(kind=DP) :: time!imaginary time
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LOGICAL :: debug!if true print debug informations on stdout
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LOGICAL :: debug!if true print debug information on stdout
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LOGICAL :: zero_time_neg!if true and time==0, the negative form is forced
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LOGICAL :: zero_time_neg!if true and time==0, the negative form is forced
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LOGICAL, INTENT(in) :: l_hf_energies!if true uses HF energies
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LOGICAL, INTENT(in) :: l_hf_energies!if true uses HF energies
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REAL(kind=DP), INTENT(in) :: ene_hf(:)
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REAL(kind=DP), INTENT(in) :: ene_hf(:)
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@ -22,7 +22,7 @@ MODULE path_io_units_module
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dat_file = 'os.dat', &! file containing the enegy profile
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dat_file = 'os.dat', &! file containing the enegy profile
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int_file = 'os.int', &! file containing the interpolated energy profile
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int_file = 'os.int', &! file containing the interpolated energy profile
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crd_file = 'os.crd', &! file containing path coordinates in pw.x input format
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crd_file = 'os.crd', &! file containing path coordinates in pw.x input format
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path_file = 'os.path', &! file containing informations needed to restart a path simulation
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path_file = 'os.path', &! file containing information needed to restart a path simulation
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xyz_file = 'os.xyz', &! file containing coordinates of all images in xyz format
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xyz_file = 'os.xyz', &! file containing coordinates of all images in xyz format
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axsf_file = 'os.axsf', &! file containing coordinates of all images in axsf format
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axsf_file = 'os.axsf', &! file containing coordinates of all images in axsf format
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broy_file = 'os.broyden' ! file containing broyden's history
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broy_file = 'os.broyden' ! file containing broyden's history
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@ -153,7 +153,7 @@ SUBROUTINE summary()
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!
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!
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IF ( do_comp_esm ) CALL esm_summary()
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IF ( do_comp_esm ) CALL esm_summary()
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IF ( lelfield ) THEN !here informations for berry's phase el. fields calculations
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IF ( lelfield ) THEN !here information for berry's phase el. fields calculations
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WRITE(stdout, *)
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WRITE(stdout, *)
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WRITE(stdout, '(" Using Berry phase electric field")')
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WRITE(stdout, '(" Using Berry phase electric field")')
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if(.not.l3dstring) then
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if(.not.l3dstring) then
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@ -192,7 +192,7 @@ SUBROUTINE summary()
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CALL print_ps_info ( )
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CALL print_ps_info ( )
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!
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!
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!
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!
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! ... print the vdw table informations if needed
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! ... print the vdw table information if needed
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CALL print_vdw_info ()
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CALL print_vdw_info ()
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!
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!
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WRITE( stdout, '(/5x, "atomic species valence mass pseudopotential")')
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WRITE( stdout, '(/5x, "atomic species valence mass pseudopotential")')
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@ -400,7 +400,7 @@ end subroutine write_upf_atomic
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subroutine write_pseudo_addinfo (ounps)
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subroutine write_pseudo_addinfo (ounps)
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!---------------------------------------------------------------------
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!---------------------------------------------------------------------
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!
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!
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! This routine writes the additional informations needed for the
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! This routine writes the additional information needed for the
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! fully relativistic pseudo-potential in the new UPF file
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! fully relativistic pseudo-potential in the new UPF file
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!
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!
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use ld1inc, only : nwfts, elts, nnts, llts, jjts, octs, nbeta, &
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use ld1inc, only : nwfts, elts, nnts, llts, jjts, octs, nbeta, &
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@ -430,7 +430,7 @@ end subroutine write_pseudo_addinfo
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subroutine write_pseudo_gipaw (ounps)
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subroutine write_pseudo_gipaw (ounps)
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!---------------------------------------------------------------------
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!---------------------------------------------------------------------
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!
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!
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! This routine writes the additional informations needed for GIPAW
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! This routine writes the additional information needed for GIPAW
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!
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!
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IMPLICIT NONE
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IMPLICIT NONE
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integer,intent(in) :: ounps
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integer,intent(in) :: ounps
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