From e7d09391c2412aa974fc79f52666b8a71d5b7d80 Mon Sep 17 00:00:00 2001 From: QuanSheng Wu Date: Mon, 20 May 2024 12:18:58 +0800 Subject: [PATCH] change EF_broadening to EF_integral_range --- examples/Cu/AMR-xy/xyplane.sh | 2 +- examples/Cu/Readme.txt | 2 ++ examples/Cu/wt.in-OHE-theta0 | 2 +- examples/Cu/wt.in-OHE-theta18 | 2 +- examples/Cu/wt.in-OHE-theta30 | 2 +- examples/Cu/wt.in-OHE-theta45 | 2 +- 6 files changed, 7 insertions(+), 5 deletions(-) diff --git a/examples/Cu/AMR-xy/xyplane.sh b/examples/Cu/AMR-xy/xyplane.sh index 69bb1893..9d58a254 100755 --- a/examples/Cu/AMR-xy/xyplane.sh +++ b/examples/Cu/AMR-xy/xyplane.sh @@ -34,7 +34,7 @@ NumOccupied = 6 ! set it anyway even don't use it. OmegaNum = 1 ! omega number OmegaMin = 0 ! energy interval OmegaMax = 0 ! energy interval E_i= OmegaMin+ (OmegaMax-OmegaMin)/(OmegaNum-1)*(i-1) -EF_broadening = 0.05 ! in eV, a broadening factor to choose the k points for integration +EF_integral_range = 0.05 ! in eV, a broadening factor to choose the k points for integration Nk1 =81 ! Kmesh(1) for KCUBE_BULK Nk2 =81 ! Kmesh(2) for KCUBE_BULK Nk3 =81 ! Kmesh(3) for KCUBE_BULK diff --git a/examples/Cu/Readme.txt b/examples/Cu/Readme.txt index 19e7a2bd..7bae15a4 100644 --- a/examples/Cu/Readme.txt +++ b/examples/Cu/Readme.txt @@ -1,5 +1,7 @@ # Added on Sep.05.2019 By QuanSheng Wu This is a example for calculating ordinary magnetoresistance with given magnetic field direction. +0. unzip the hr.dat.tar.gz + $ tar xzvf wannier90_hr.dat_nsymm48.tar.gz 1. Calculate band structure and Fermi surface $ cp wt.in-bands wt.in $ mpiexec -np 4 wt.x& diff --git a/examples/Cu/wt.in-OHE-theta0 b/examples/Cu/wt.in-OHE-theta0 index c6727e04..e1f30f18 100644 --- a/examples/Cu/wt.in-OHE-theta0 +++ b/examples/Cu/wt.in-OHE-theta0 @@ -19,7 +19,7 @@ NumOccupied = 6 ! set it anyway even don't use it. OmegaNum = 3 ! omega number OmegaMin = -0.01 ! energy interval OmegaMax = 0.01 ! energy interval E_i= OmegaMin+ (OmegaMax-OmegaMin)/(OmegaNum-1)*(i-1) -EF_broadening = 0.15 ! in eV, a broadening factor to choose the k points for integration +EF_integral_range = 0.15 ! in eV, a broadening factor to choose the k points for integration Nk1 =41 ! Kmesh(1) for KCUBE_BULK Nk2 =41 ! Kmesh(2) for KCUBE_BULK Nk3 =41 ! Kmesh(3) for KCUBE_BULK diff --git a/examples/Cu/wt.in-OHE-theta18 b/examples/Cu/wt.in-OHE-theta18 index 7342373f..a93799e7 100644 --- a/examples/Cu/wt.in-OHE-theta18 +++ b/examples/Cu/wt.in-OHE-theta18 @@ -19,7 +19,7 @@ NumOccupied = 6 ! set it anyway even don't use it. OmegaNum = 1 ! omega number OmegaMin = 0 ! energy interval OmegaMax = 0 ! energy interval E_i= OmegaMin+ (OmegaMax-OmegaMin)/(OmegaNum-1)*(i-1) -EF_broadening = 0.15 +EF_integral_range = 0.15 Nk1 =41 ! Kmesh(1) for KCUBE_BULK Nk2 =41 ! Kmesh(2) for KCUBE_BULK Nk3 =41 ! Kmesh(3) for KCUBE_BULK diff --git a/examples/Cu/wt.in-OHE-theta30 b/examples/Cu/wt.in-OHE-theta30 index 7bc03a68..b4584488 100644 --- a/examples/Cu/wt.in-OHE-theta30 +++ b/examples/Cu/wt.in-OHE-theta30 @@ -22,7 +22,7 @@ OmegaMax = 0 ! energy interval E_i= OmegaMin+ (OmegaMax-OmegaMin)/(OmegaNum- Nk1 =41 ! Kmesh(1) for KCUBE_BULK Nk2 =41 ! Kmesh(2) for KCUBE_BULK Nk3 =41 ! Kmesh(3) for KCUBE_BULK -EF_broadening = 0.15 +EF_integral_range = 0.15 BTauNum= 100 ! Number of B*tau we calculate BTauMax = 40.0 ! The maximum B*tau, starting from Btau=0. Tmin = 30 ! Temperature in Kelvin diff --git a/examples/Cu/wt.in-OHE-theta45 b/examples/Cu/wt.in-OHE-theta45 index d6c201f1..0437cea4 100644 --- a/examples/Cu/wt.in-OHE-theta45 +++ b/examples/Cu/wt.in-OHE-theta45 @@ -22,7 +22,7 @@ OmegaMax = 0 ! energy interval E_i= OmegaMin+ (OmegaMax-OmegaMin)/(OmegaNum- Nk1 =41 ! Kmesh(1) for KCUBE_BULK Nk2 =41 ! Kmesh(2) for KCUBE_BULK Nk3 =41 ! Kmesh(3) for KCUBE_BULK -EF_broadening = 0.15 +EF_integral_range = 0.15 BTauNum= 100 ! Number of B*tau we calculate BTauMax = 40.0 ! The maximum B*tau, starting from Btau=0. Tmin = 30 ! Temperature in Kelvin