Merge branch 'main' into gf_helpers

examples/hubbard.py

@@ -87,7 +87,6 @@ def force_paramagnetic(A):
 
     if np.abs(U - 3.5) < 1e-10:
         # Some different ways to construct some Green's functions
-        mu = kweight.mu
 
         # The k-space and frequency mesh of the problem
         iw_mesh = MeshImFreq(beta=beta, S='Fermion', n_max=64)

src/risb/helpers_triqs.py

@@ -393,6 +393,44 @@ def get_g_k_w(g0_k_w : BlockGf | None = None,
                 for k, w in gf.mesh:
                     gf[k,w] = inverse(inverse(g0_k_w[bl][k,w]) - sigma_w[bl][w])
     elif (g_qp_k_w is not None) and (R is not None):
+=======
+def get_sigma_w(gf_struct, mesh, Lambda, R, mu=0, h_loc=None):
+    sigma_w = BlockGf(mesh=mesh, gf_struct=gf_struct)
+    for bl, gf in sigma_w:
+        id = np.eye(*gf.data.shape[-2::]) # Last two indices are the orbital structure
+        Z = R[bl] @ R[bl].conj().T
+        id_Z = (id - np.linalg.inv(Z))
+        id_Z_mu = id_Z * mu
+        hf = np.linalg.inv(R[bl]) @ Lambda[bl] @ np.linalg.inv(R[bl].conj().T)
+        if h_loc is not None:
+            for w in gf.mesh:
+                gf[w] = id_Z * w + hf + id_Z_mu - h_loc[bl]
+        else:
+            for w in gf.mesh:
+                gf[w] = id_Z * w + hf + id_Z_mu
+    return sigma_w
+
+# FIXME have to check h0_kin_k shares the same mesh 
+def get_g_qp_k_w(gf_struct, mesh, h0_kin_k, Lambda, R, mu=0):
+    g_qp_k_w = BlockGf(mesh=mesh, gf_struct=gf_struct)
+    for bl, gf in g_qp_k_w:
+        h_qp = get_h_qp(R=R[bl], Lambda=Lambda[bl], h0_kin_k=h0_kin_k[bl], mu=mu)
+        for k, w in g_qp_k_w.mesh:
+            gf[k,w] = inverse(w - h_qp[k.data_index])
+    return g_qp_k_w
+
+def get_g_k_w(**kwargs):
+    if ('g0_k_w' in kwargs) and ('sigma_w' in kwargs):
+        g0_k_w = kwargs['g0_k_w']
+        sigma_w = kwargs['sigma_w']
+        g_k_w = g0_k_w.copy()
+        g_k_w.zero()
+        for bl, gf in g_k_w:
+            for k, w in gf.mesh:            
+                gf[k,w] = inverse(inverse(g0_k_w[bl][k,w]) - sigma_w[bl][w])
+    elif ('g_qp_k_w' in kwargs) and ('R' in kwargs):
+        g_qp_k_w = kwargs['g_qp_k_w']
+        R = kwargs['R']
         g_k_w = g_qp_k_w.copy()
         g_k_w.zero()
         for bl, gf in g_qp_k_w: