Commit 8c2fd404 authored by Gregor Michalicek's avatar Gregor Michalicek

Set ChASE tolerance to 10^-6

parent 31c2a140
...@@ -129,10 +129,10 @@ IMPLICIT NONE ...@@ -129,10 +129,10 @@ IMPLICIT NONE
end do end do
end do end do
if(iter.EQ.1) then 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 else
CALL read_eig(chase_eig_id,ikpt,jsp,neig=nbands,eig=eigenvalues,zmat=zMatTemp) 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 end if
ne = nev ne = nev
...@@ -184,10 +184,10 @@ IMPLICIT NONE ...@@ -184,10 +184,10 @@ IMPLICIT NONE
end do end do
if(iter.EQ.1) then 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 else
CALL read_eig(chase_eig_id,ikpt,jsp,neig=nbands,eig=eigenvalues,zmat=zMatTemp) 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 end if
ne = nev ne = nev
......
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