Make sure that l_spav=.true. in DMI calculation. Should fix #235

eigen_soc/ssomat.F90

@@ -85,6 +85,7 @@ CONTAINS
 
     ALLOCATE(soangl(atoms%lmaxd,-atoms%lmaxd:atoms%lmaxd,2,&
          atoms%lmaxd,-atoms%lmaxd:atoms%lmaxd,2,SIZE(theta)))
+    soangl=0.0
     DO nr=1,SIZE(theta)
        CALL spnorb_angles(atoms,mpi,theta(nr),phi(nr),soangl(:,:,:,:,:,:,nr))
     ENDDO
@@ -407,7 +408,7 @@ CONTAINS
              ELSE
                 bandf= 1 
              ENDIF
-             IF (ABS(AIMAG(matel(bandf,band2,n)))>1.e-8) THEN
+             IF (ABS(AIMAG(matel(bandf,band2,n)))>1.e-12) THEN
                 PRINT *,bandf,band2,n,AIMAG(matel(bandf,band2,n))
                 CALL judft_error('Stop in ssomatel:  diagonal matrix element not real')
              ENDIF

libxc-git @ 3cb2231a

-Subproject commit ca6f7114b9fffe0964ca9e8d24e09ef15b300316
+Subproject commit 3cb2231abf1d47fbd8b3e21c8478e9f26a73ce5f

forcetheorem/dmi.F90

@@ -84,6 +84,7 @@ CONTAINS
     
     !Now modify the noco-file
     noco%qss=this%qvec(:,this%q_done)
+    noco%l_spav=.true.
     !Modify the alpha-angles
     DO iType = 1,atoms%ntype
        noco%alph(iType) = noco%alphInit(iType) + tpi_const*dot_PRODUCT(noco%qss,atoms%taual(:,SUM(atoms%neq(:itype-1))+1))