Fix BdG tests

tests/KKRhost/tools/test_verify_BdG.py

@@ -22,14 +22,14 @@ class Test_BdG():
         """
         path0 = 'test_run26_hybrid_4_1/eh_symm/'
         
-        print('t^ee(E+i0+) = -t^hh(E+i0+) ?')
+        print('Check if t^ee(E+i0+) == -t^hh(E+i0+) :')
         tmat = load(path0+'tmat_atom_001_energ_001.npy')
         check_ehsymm(tmat)
-        print('Gref')
-        gref = load(path0+'ginp.npy')[:,:,-1]
+        print('\n Check Gref:')
+        gref = load(path0+'ginp_energ_001.npy')[:,:,-1]
         check_ehsymm(gref)
-        print('G')
-        gmat = load(path0+'gmat.npy')
+        print('\n Check Gmat:')
+        gmat = load(path0+'gmat_001_energ_001.npy')
         check_ehsymm(gmat)
 
     def test_27_BdG1_eh_sym_and_gap(self):
@@ -55,12 +55,11 @@ class Test_BdG():
         #pcolormesh(k, e, dqh, shading='nearest')
         #colorbar()
         #title('BdG=0, hh')
-       
-        dm = (dqe-dqh[::-1]).max()
-        ds = (dqe-dqh[::-1]).std()
-        print('ehsymm', dm, ds)
-        assert dm<0.0002
-        assert ds<1e-5
+
+        d = abs(dqe-dqh[::-1])
+        dm = d.max()
+        print('ehsymm', dm, dm/dqe[d==dm])
+        assert dm/dqe[d==dm] < 2e-4
         gz = (dqe[1]).max()/(dqe[0]).max()
         print('gapzero', gz)
         assert gz<0.012
@@ -125,5 +124,5 @@ def check_BdG1_block_charges(testpath, eps=10**-14):
 
 def check_ehsymm(m):
    d = sum(abs(m[:16,:16]+conjugate(m[16:32,16:32])))
-   print('absdiff, reldiff=', d, d/sum(abs(m[:16,:16])))
+   print('absdiff, reldiff=', d, d/sum(abs(m[:16,:16])), '(threshold=1e-13)')
    assert d<10**-13