From fe8b050d2d829158ff6a5425764a6837988a523d Mon Sep 17 00:00:00 2001 From: "Dr. Sefer Bora Lisesivdin" Date: Wed, 5 Jun 2024 10:40:34 +0300 Subject: [PATCH] `Localisation` keyword is added to examples. --- examples/Al-phonon/Al-phonon.py | 1 + examples/Bulk-GaAs-noCIF/bulk_gaas.py | 2 +- examples/Cr2O-spin/Cr2O.py | 1 + examples/Graphene-LCAO/graphene.py | 1 + examples/Graphene-charged/graphene-charged.py | 1 + examples/Graphene-charged/graphene-neutral.py | 1 + examples/MoS2-GW/MoS2-GW.py | 1 + examples/Si-2atoms-optical/Si-Step1-ground_dos_band.py | 1 + examples/Si-2atoms-optical/Si-Step2-optical-RPA.py | 1 + examples/Si-2atoms-optical/Si-Step3-optical-BSE.py | 1 + examples/Si-with-HSE/Si-with-HSE.py | 1 + examples/TiC-elastic-electronic/TiC.py | 1 + examples/ZnO-with-Hubbard/ZnO_withHubbard.py | 1 + examples/ZnO-with-Hubbard/ZnO_woHubbard.py | 1 + 14 files changed, 14 insertions(+), 1 deletion(-) diff --git a/examples/Al-phonon/Al-phonon.py b/examples/Al-phonon/Al-phonon.py index 9f701de..cb3fabf 100644 --- a/examples/Al-phonon/Al-phonon.py +++ b/examples/Al-phonon/Al-phonon.py @@ -60,3 +60,4 @@ MPI_cores = 4 # Number of cores in calculation. Energy_min = -5 # eV. It is the minimum energy value for band structure and DOS figures. Energy_max = 5 # eV. It is the maximum energy value for band structure and DOS figures. +Localisation = "en_UK" # Localisation setting for figures. en_UK is default. diff --git a/examples/Bulk-GaAs-noCIF/bulk_gaas.py b/examples/Bulk-GaAs-noCIF/bulk_gaas.py index 78a2825..db4125f 100644 --- a/examples/Bulk-GaAs-noCIF/bulk_gaas.py +++ b/examples/Bulk-GaAs-noCIF/bulk_gaas.py @@ -69,4 +69,4 @@ MPI_cores = 4 # Number of cores in calculation. Energy_min = -5 # eV. It is the minimum energy value for band structure and DOS figures. Energy_max = 10 # eV. It is the maximum energy value for band structure and DOS figures. -# Localization = "tr_TR" +# Localisation = "tr_TR" # Localisation setting for figures. en_UK is default. diff --git a/examples/Cr2O-spin/Cr2O.py b/examples/Cr2O-spin/Cr2O.py index db56ac6..bfc4307 100644 --- a/examples/Cr2O-spin/Cr2O.py +++ b/examples/Cr2O-spin/Cr2O.py @@ -54,3 +54,4 @@ MPI_cores = 4 # Number of cores in calculation. Energy_min = -5 # eV. It is the minimum energy value for band structure and DOS figures. Energy_max = 5 # eV. It is the maximum energy value for band structure and DOS figures. +Localisation = "en_UK" # Localisation setting for figures. en_UK is default. diff --git a/examples/Graphene-LCAO/graphene.py b/examples/Graphene-LCAO/graphene.py index 2bfa097..e83c742 100644 --- a/examples/Graphene-LCAO/graphene.py +++ b/examples/Graphene-LCAO/graphene.py @@ -58,3 +58,4 @@ MPI_cores = 4 # Number of cores in calculation. Energy_min = -5 # eV. It is the minimum energy value for band structure and DOS figures. Energy_max = 5 # eV. It is the maximum energy value for band structure and DOS figures. +Localisation = "en_UK" # Localisation setting for figures. en_UK is default. diff --git a/examples/Graphene-charged/graphene-charged.py b/examples/Graphene-charged/graphene-charged.py index 8e03aea..c0270f4 100644 --- a/examples/Graphene-charged/graphene-charged.py +++ b/examples/Graphene-charged/graphene-charged.py @@ -59,3 +59,4 @@ MPI_cores = 4 # Number of cores in calculation. Energy_min = -5 # eV. It is the minimum energy value for band structure and DOS figures. Energy_max = 5 # eV. It is the maximum energy value for band structure and DOS figures. +Localisation = "en_UK" # Localisation setting for figures. en_UK is default. diff --git a/examples/Graphene-charged/graphene-neutral.py b/examples/Graphene-charged/graphene-neutral.py index 3f7de22..1ec3016 100644 --- a/examples/Graphene-charged/graphene-neutral.py +++ b/examples/Graphene-charged/graphene-neutral.py @@ -59,3 +59,4 @@ MPI_cores = 4 # Number of cores in calculation. Energy_min = -5 # eV. It is the minimum energy value for band structure and DOS figures. Energy_max = 5 # eV. It is the maximum energy value for band structure and DOS figures. +Localisation = "en_UK" # Localisation setting for figures. en_UK is default. diff --git a/examples/MoS2-GW/MoS2-GW.py b/examples/MoS2-GW/MoS2-GW.py index a7ec820..190de10 100644 --- a/examples/MoS2-GW/MoS2-GW.py +++ b/examples/MoS2-GW/MoS2-GW.py @@ -69,3 +69,4 @@ MPI_cores = 4 # Number of cores in calculation. Energy_min = -5 # eV. It is the minimum energy value for band structure and DOS figures. Energy_max = 5 # eV. It is the maximum energy value for band structure and DOS figures. +Localisation = "en_UK" # Localisation setting for figures. en_UK is default. diff --git a/examples/Si-2atoms-optical/Si-Step1-ground_dos_band.py b/examples/Si-2atoms-optical/Si-Step1-ground_dos_band.py index dfc767f..a799e5b 100644 --- a/examples/Si-2atoms-optical/Si-Step1-ground_dos_band.py +++ b/examples/Si-2atoms-optical/Si-Step1-ground_dos_band.py @@ -56,3 +56,4 @@ MPI_cores = 4 # Number of cores in calculation. Energy_min = -5 # eV. It is the minimum energy value for band structure and DOS figures. Energy_max = 5 # eV. It is the maximum energy value for band structure and DOS figures. +Localisation = "en_UK" # Localisation setting for figures. en_UK is default. diff --git a/examples/Si-2atoms-optical/Si-Step2-optical-RPA.py b/examples/Si-2atoms-optical/Si-Step2-optical-RPA.py index 7221177..e143902 100644 --- a/examples/Si-2atoms-optical/Si-Step2-optical-RPA.py +++ b/examples/Si-2atoms-optical/Si-Step2-optical-RPA.py @@ -31,3 +31,4 @@ #GENERAL MPI_cores = 4 # Number of cores in calculation. +Localisation = "en_UK" # Localisation setting for figures. en_UK is default. diff --git a/examples/Si-2atoms-optical/Si-Step3-optical-BSE.py b/examples/Si-2atoms-optical/Si-Step3-optical-BSE.py index 516dee5..31b9fe8 100644 --- a/examples/Si-2atoms-optical/Si-Step3-optical-BSE.py +++ b/examples/Si-2atoms-optical/Si-Step3-optical-BSE.py @@ -30,3 +30,4 @@ #GENERAL MPI_cores = 4 # Number of cores in calculation. +Localisation = "en_UK" # Localisation setting for figures. en_UK is default. diff --git a/examples/Si-with-HSE/Si-with-HSE.py b/examples/Si-with-HSE/Si-with-HSE.py index a917bce..e8b37fa 100644 --- a/examples/Si-with-HSE/Si-with-HSE.py +++ b/examples/Si-with-HSE/Si-with-HSE.py @@ -58,3 +58,4 @@ MPI_cores = 4 # Number of cores in calculation. Energy_min = -5 # eV. It is the minimum energy value for band structure and DOS figures. Energy_max = 5 # eV. It is the maximum energy value for band structure and DOS figures. +Localisation = "en_UK" # Localisation setting for figures. en_UK is default. diff --git a/examples/TiC-elastic-electronic/TiC.py b/examples/TiC-elastic-electronic/TiC.py index acb41c6..7bc6351 100644 --- a/examples/TiC-elastic-electronic/TiC.py +++ b/examples/TiC-elastic-electronic/TiC.py @@ -54,3 +54,4 @@ MPI_cores = 4 # Number of cores in calculation. Energy_min = -5 # eV. It is the minimum energy value for band structure and DOS figures. Energy_max = 5 # eV. It is the maximum energy value for band structure and DOS figures. +Localisation = "en_UK" # Localisation setting for figures. en_UK is default. diff --git a/examples/ZnO-with-Hubbard/ZnO_withHubbard.py b/examples/ZnO-with-Hubbard/ZnO_withHubbard.py index 06f5b9c..06cb9da 100644 --- a/examples/ZnO-with-Hubbard/ZnO_withHubbard.py +++ b/examples/ZnO-with-Hubbard/ZnO_withHubbard.py @@ -60,3 +60,4 @@ MPI_cores = 4 # Number of cores in calculation. Energy_min = -5 # eV. It is the minimum energy value for band structure and DOS figures. Energy_max = 5 # eV. It is the maximum energy value for band structure and DOS figures. +Localisation = "en_UK" # Localisation setting for figures. en_UK is default. diff --git a/examples/ZnO-with-Hubbard/ZnO_woHubbard.py b/examples/ZnO-with-Hubbard/ZnO_woHubbard.py index 325efe3..4aef5ae 100644 --- a/examples/ZnO-with-Hubbard/ZnO_woHubbard.py +++ b/examples/ZnO-with-Hubbard/ZnO_woHubbard.py @@ -60,3 +60,4 @@ MPI_cores = 4 # Number of cores in calculation. Energy_min = -5 # eV. It is the minimum energy value for band structure and DOS figures. Energy_max = 5 # eV. It is the maximum energy value for band structure and DOS figures. +Localisation = "en_UK" # Localisation setting for figures. en_UK is default.