Dear Wannier90 Community,
The berry curvature is printed in kpath.f90 by > call berry_get_imf_klist(kpt,imf_k_list) > curv(loop_kpt,1)=sum(imf_k_list(:,1,1)) > curv(loop_kpt,2)=sum(imf_k_list(:,2,1)) > curv(loop_kpt,3)=sum(imf_k_list(:,3,1)) > > and later > > curv=-curv > do loop_kpt=1,total_pts > write(dataunit,’(4E16.8)') xval(loop_kpt), curv(loop_kpt,:) > enddo In the berry_get_imf_klist subroutine of berry.f90, it says > ! Gather W-gauge matrix objects > call wham_get_eig_UU_HH_JJlist(kpt,eig,UU,mdum,JJp_list,JJm_list) > > For example, the third component of imf_k_list is > > mdum=matmul(JJm_list(:,:,if,alpha_A(i)),JJp_list(:,:,if,beta_A(i))) > imf_k_list(3,i,if)=-2.0_dp*utility_im_tr(mdum) > JJm_list and JJp_list are in W-gauge. So imf_k_list is in W-gauge. Consequently, is curv(loop_kpt:) in W-gauge? I would appreciate any hints on what I might be missing here. Thanks, Vahid Vahid Askarpour Department of Physics and Atmospheric Science Dalhousie University Halifax, Nova Scotia CANADA _______________________________________________ Wannier mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/wannier
