Commit 09d4939a authored by Gregor Michalicek's avatar Gregor Michalicek

Renamed inpgen switch -kpts_gw to -gw and additionally set gw mode to one if the switch is used

parent 60f71573
......@@ -22,7 +22,7 @@ MODULE m_fleur_arguments
t_fleur_param(0,"-genEnpara","generate an 'enpara' file",""),&
t_fleur_param(0,"-electronConfig","explicitely write the electron configuration into inp.xml",""),&
t_fleur_param(0,"-fast_defaults","generate more aggressive (and less stable) input parameters for faster calculations",""),&
t_fleur_param(0,"-kpts_gw","add alternative k point set for GW",""),&
t_fleur_param(0,"-gw","Set GW mode 1 and add alternative k point set for GW",""),&
t_fleur_param(0,"-h","print this help message","")&
/)
......
......@@ -19,7 +19,7 @@ CONTAINS
CALL new_argument(0,"-genEnpara","Generate an 'enpara' file for the energy parameters","")
CALL new_argument(0,"-explicit","Write out k-point list, symmetry operations, and optional input to inp.xml","")
CALL new_argument(0,"-kpts_gw","add alternative k point set for GW in all outputs for the XML input file","")
CALL new_argument(0,"-gw","Set GW mode 1 and add alternative k point set for GW in all outputs for the XML input file","")
CALL new_argument(0,"-noco","write out noco parameters into inp.xml","")
CALL new_argument(0,"-electronConfig","explicitely write the electron configuration into inp.xml","")
CALL new_argument(0,"-fast_defaults","generate more aggressive (and less stable) input parameters for faster calculations","")
......@@ -41,7 +41,7 @@ CONTAINS
CALL print_argument("-noco")
CALL print_argument("-electronConfig")
CALL print_argument("-fast_defaults")
CALL print_argument("-kpts_gw")
CALL print_argument("-gw")
CALL print_argument("-h")
WRITE(*,'(a)')""
WRITE(*,'(a)')"Please check the documentation on www.flapw.de for more details"
......
......@@ -355,6 +355,7 @@
nu = 8
input%gw = 0
IF(juDFT_was_argument("-gw")) input%gw = 1
IF (kpts%nkpt == 0) THEN ! set some defaults for the k-points
IF (input%film) THEN
......
......@@ -280,7 +280,7 @@ SUBROUTINE w_inpXML(&
WRITE (fileNum,212) kpts%kPointDensity(1),kpts%kPointDensity(2),kpts%kPointDensity(3),kptGamma
END IF
IF(juDFT_was_argument("-kpts_gw")) THEN
IF(juDFT_was_argument("-gw")) THEN
WRITE(fileNum,'(a)') ' <altKPointSet purpose="GW">'
WRITE(fileNum,'(a)') ' <kPointListFile filename="kpts_gw"/>'
WRITE(fileNum,'(a)') ' </altKPointSet>'
......
......@@ -125,7 +125,7 @@ CONTAINS
CALL new_argument(0,"-mix_io","Do not store mixing history in memory but do IO in each iteration","")
CALL new_argument(0,"-no_out","Do not open the 'out' file but write to stdout","")
CALL new_argument(0,"-genEnpara","Generate an 'enpara' file for the energy parameters","")
CALL new_argument(0,"-kpts_gw","add alternative k point set for GW in all outputs for the XML input file","")
CALL new_argument(0,"-gw","Add alternative k point set for GW in all outputs for the XML input file","")
CALL new_argument(0,"-noco","write out noco parameters in all outputs for inp.xml","")
CALL new_argument(0,"-h","Print this message","")
CALL new_argument(0,"-no_send","Do not send usage data","")
......
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