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
This commit is contained in:
parent
f4532c021f
commit
aec3ca4aaa
|
@ -269,7 +269,7 @@ input_description -distribution {Quantum Espresso} -package CP -program cp.x {
|
|||
'high', 'default'
|
||||
|
||||
'high': CP code will write Kohn-Sham wf files and additional
|
||||
informations in data-file.xml in order to restart
|
||||
information in data-file.xml in order to restart
|
||||
with a PW calculation or to use postprocessing tools.
|
||||
}
|
||||
}
|
||||
|
|
|
@ -153,7 +153,7 @@
|
|||
|
||||
SUBROUTINE cutoffs_print_info()
|
||||
|
||||
! Print out informations about different cut-offs
|
||||
! Print out information about different cut-offs
|
||||
|
||||
USE gvecw, ONLY: ecutwfc, gcutw
|
||||
USE gvect, ONLY: ecutrho, gcutm
|
||||
|
|
|
@ -61,7 +61,7 @@
|
|||
TYPE(green) :: gr!the green function on output
|
||||
TYPE(wannier_u) :: wu!data on U and e_i
|
||||
REAL(kind=DP) :: time!imaginary time
|
||||
LOGICAL :: debug!if true print debug informations on stdout
|
||||
LOGICAL :: debug!if true print debug information on stdout
|
||||
LOGICAL :: zero_time_neg!if true and time==0, the negative form is forced
|
||||
LOGICAL, INTENT(in) :: l_hf_energies!if true uses HF energies
|
||||
REAL(kind=DP), INTENT(in) :: ene_hf(:)
|
||||
|
@ -164,7 +164,7 @@
|
|||
TYPE(green) :: gr!the green function on output
|
||||
TYPE(wannier_u) :: wu!data on U and e_i
|
||||
REAL(kind=DP) :: time!imaginary time
|
||||
LOGICAL :: debug!if true print debug informations on stdout
|
||||
LOGICAL :: debug!if true print debug information on stdout
|
||||
LOGICAL :: zero_time_neg!if true and time==0, the negative form is forced
|
||||
LOGICAL, INTENT(in) :: l_hf_energies!if true uses HF energies
|
||||
REAL(kind=DP), INTENT(in) :: ene_hf(:)
|
||||
|
|
|
@ -22,7 +22,7 @@ MODULE path_io_units_module
|
|||
dat_file = 'os.dat', &! file containing the enegy profile
|
||||
int_file = 'os.int', &! file containing the interpolated energy profile
|
||||
crd_file = 'os.crd', &! file containing path coordinates in pw.x input format
|
||||
path_file = 'os.path', &! file containing informations needed to restart a path simulation
|
||||
path_file = 'os.path', &! file containing information needed to restart a path simulation
|
||||
xyz_file = 'os.xyz', &! file containing coordinates of all images in xyz format
|
||||
axsf_file = 'os.axsf', &! file containing coordinates of all images in axsf format
|
||||
broy_file = 'os.broyden' ! file containing broyden's history
|
||||
|
|
|
@ -153,7 +153,7 @@ SUBROUTINE summary()
|
|||
!
|
||||
IF ( do_comp_esm ) CALL esm_summary()
|
||||
|
||||
IF ( lelfield ) THEN !here informations for berry's phase el. fields calculations
|
||||
IF ( lelfield ) THEN !here information for berry's phase el. fields calculations
|
||||
WRITE(stdout, *)
|
||||
WRITE(stdout, '(" Using Berry phase electric field")')
|
||||
if(.not.l3dstring) then
|
||||
|
@ -192,7 +192,7 @@ SUBROUTINE summary()
|
|||
CALL print_ps_info ( )
|
||||
!
|
||||
!
|
||||
! ... print the vdw table informations if needed
|
||||
! ... print the vdw table information if needed
|
||||
CALL print_vdw_info ()
|
||||
!
|
||||
WRITE( stdout, '(/5x, "atomic species valence mass pseudopotential")')
|
||||
|
|
|
@ -400,7 +400,7 @@ end subroutine write_upf_atomic
|
|||
subroutine write_pseudo_addinfo (ounps)
|
||||
!---------------------------------------------------------------------
|
||||
!
|
||||
! This routine writes the additional informations needed for the
|
||||
! This routine writes the additional information needed for the
|
||||
! fully relativistic pseudo-potential in the new UPF file
|
||||
!
|
||||
use ld1inc, only : nwfts, elts, nnts, llts, jjts, octs, nbeta, &
|
||||
|
@ -430,7 +430,7 @@ end subroutine write_pseudo_addinfo
|
|||
subroutine write_pseudo_gipaw (ounps)
|
||||
!---------------------------------------------------------------------
|
||||
!
|
||||
! This routine writes the additional informations needed for GIPAW
|
||||
! This routine writes the additional information needed for GIPAW
|
||||
!
|
||||
IMPLICIT NONE
|
||||
integer,intent(in) :: ounps
|
||||
|
|
Loading…
Reference in New Issue