Skip to content

GitLab

fleur
fleur
Commit 8c2fd404 authored by Gregor Michalicek's avatar Gregor Michalicek
Browse files
Options

Set ChASE tolerance to 10^-6

parent 31c2a140
Hide whitespace changes
Inline Side-by-side
Showing with 4 additions and 4 deletions
diagonalization/chase_diag.F90
View file @ 8c2fd404
......@@ -129,10 +129,10 @@ IMPLICIT NONE
end do
end do
if(iter.EQ.1) then
call chase_r(hmat%data_r, hmat%matsize1, zMatTemp%data_r, eigenvalues, nev, nex, 25, 1e-10, 'R', 'S' )
call chase_r(hmat%data_r, hmat%matsize1, zMatTemp%data_r, eigenvalues, nev, nex, 25, 1e-6, 'R', 'S' )
else
CALL read_eig(chase_eig_id,ikpt,jsp,neig=nbands,eig=eigenvalues,zmat=zMatTemp)
call chase_r(hmat%data_r, hmat%matsize1, zMatTemp%data_r, eigenvalues, nev, nex, 25, 1e-10, 'A', 'S' )
call chase_r(hmat%data_r, hmat%matsize1, zMatTemp%data_r, eigenvalues, nev, nex, 25, 1e-6, 'A', 'S' )
end if
ne = nev
......@@ -184,10 +184,10 @@ IMPLICIT NONE
end do
if(iter.EQ.1) then
call chase_c(hmat%data_c, hmat%matsize1, zMatTemp%data_c, eigenvalues, nev, nex, 25, 1e-10, 'R', 'S' )
call chase_c(hmat%data_c, hmat%matsize1, zMatTemp%data_c, eigenvalues, nev, nex, 25, 1e-6, 'R', 'S' )
else
CALL read_eig(chase_eig_id,ikpt,jsp,neig=nbands,eig=eigenvalues,zmat=zMatTemp)
call chase_c(hmat%data_c, hmat%matsize1, zMatTemp%data_c, eigenvalues, nev, nex, 25, 1e-10, 'A', 'S' )
call chase_c(hmat%data_c, hmat%matsize1, zMatTemp%data_c, eigenvalues, nev, nex, 25, 1e-6, 'A', 'S' )
end if
ne = nev
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment