From 06ceb8780fecd5b959c72e1df7b8a74aaf9106f3 Mon Sep 17 00:00:00 2001 From: Gregor Michalicek Date: Fri, 24 Feb 2017 15:36:03 +0100 Subject: [PATCH] Corrected wrong cotra3 to matmul translation in dos/evaldos.f90 --- dos/evaldos.f90 | 16 ++++++++-------- 1 file changed, 8 insertions(+), 8 deletions(-) diff --git a/dos/evaldos.f90 b/dos/evaldos.f90 index 4ba8c20c..53953877 100644 --- a/dos/evaldos.f90 +++ b/dos/evaldos.f90 @@ -475,18 +475,18 @@ OPEN (18,FILE='bands'//spin12(jspin)) ntb = minval(nevk(:)) kx(1) = 0.0 - vkr(:,1)=matmul(cell%bmat,vk(:,1)) + vkr(:,1)=matmul(vk(:,1),cell%bmat) DO k = 2, kpts%nkpt - vkr(:,k)=matmul(cell%bmat,vk(:,k)) - dk = ( vkr(1,k) - vkr(1,k-1) )**2 + ( vkr(2,k) - vkr(2,k-1) )**2 +& - ( vkr(3,k) - vkr(3,k-1) )**2 - kx(k) = kx(k-1) + sqrt(dk) + vkr(:,k)=matmul(vk(:,k),cell%bmat) + dk = (vkr(1,k)-vkr(1,k-1))**2 + (vkr(2,k)-vkr(2,k-1) )**2 + & + (vkr(3,k)-vkr(3,k-1))**2 + kx(k) = kx(k-1) + sqrt(dk) ENDDO DO i = 1, ntb - DO k = 1, kpts%nkpt - write(18,'(2f15.9)') kx(k),ev(i,k) - ENDDO + DO k = 1, kpts%nkpt + write(18,'(2f15.9)') kx(k),ev(i,k) + ENDDO ENDDO CLOSE (18) ENDIF -- 2.26.2