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quantum-espresso
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11421 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2015-03-04 10:05:55 +00:00
parent 56ee3a9664
commit 053c11d86e
2 changed files with 2 additions and 2 deletions
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2
GWW/gww/do_self_lanczos_time.f90
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@ -630,7 +630,7 @@ subroutine do_self_lanczos_time(ss, tf ,options,l_real_axis,energy)
call dgemm('T','N',numl,numt,numt,1.d0,ttl_j%tt_mat,numt,re_e_mat(1,1,iw-nbegin_g+1),numt,0.d0,tmp_mat,numl)
call dgemm('N','N',numl,numl,numt,1.d0,tmp_mat,numl,ttl%tt_mat,numt,0.d0,re_g_mat(1,1,iw-nbegin_g+1),numl)
call dgemm('T','N',numl,numt,numt,1.d0,ttl_j%tt_mat,numt,im_e_mat(1,1,iw-nbegin_g+1),numt,0.d0,tmp_mat,numl)
call dgemm('N','N',numl,numl,numt,1.d0,tmp_mat,numl,ttl%tt_mat,numt,0.d0,im_g_mat(1,1,iw-nbegin_g+1),numl)
call dgemm('N','N',numl,numl,numt,1.d0,tmp_mat,numl,ttl%tt_mat,numt,0.d0,im_g_mat(1,1,iw-nbegin_g+1),numl)
else
do in=0,ndivt-1
nbegin_t=in*l_blk_t+1

2
GWW/pw4gww/wannier_uterms.f90
View File

@ -259,7 +259,7 @@
allocate(q2(-n_int_loc+1:n_int_loc))
allocate(q3(-n_int_loc+1:n_int_loc))
do ix=-n_int_loc+1,n_int_loc
q1(ix)=(0.5d0*(1.d0/dble(n_int_loc)*(dble(ix-1))+0.5d0/dble(n_int_loc))*bg(1,1)+g(1,ig))**2.d0
q1(ix)=(0.5d0*(1.d0/dble(n_int_loc)*(dble(ix-1))+0.5d0/dble(n_int_loc))*bg(1,1)+g(1,ig))**2.d0
enddo
do ix=-n_int_loc+1,n_int_loc
q2(ix)=(0.5d0*(1.d0/dble(n_int_loc)*(dble(ix-1))+0.5d0/dble(n_int_loc))*bg(2,2)+g(2,ig))**2.d0