EPR and Hubbard test passed

tests/EPR/7.3.1/GTENSOR.txt

@@ -0,0 +1,24 @@
+Delta g-tensors from GIPAW output:
+(SOO a la Paratec):
+      240.94        -0.01        -0.04
+       -0.04      4327.23        -0.03
+       -0.04        -0.06     98138.08
+
+(SOO as in Eq.(7)):
+      247.21        -0.01        -0.04
+       -0.04      4394.48        -0.03
+       -0.04        -0.06     99220.50
+
+using g_e = 2.00231930436182
+
+Diagonal + principal components (cartesian):
+(SOO a la Paratec):
+    2.002560 => [1.       0.000006 0.      ]
+    2.006647 => [-0.000006  1.        0.      ]
+    2.100457 => [-0. -0.  1.]
+
+(SOO as in Eq.(7)):
+    2.002567 => [1.       0.000006 0.      ]
+    2.006714 => [-0.000006  1.        0.      ]
+    2.101540 => [-0. -0.  1.]
+

tests/EPR/7.3.1/HYPERFINE.txt

@@ -0,0 +1,19 @@
+     ----- spin-densities in bohrradius^-3 -----
+               bare            GIPAW           core-relax      total
+     Cl      1       -0.000281        0.000188        0.000076       -0.000017
+     Cl      2       -0.000281        0.000186        0.000076       -0.000019
+     Cl      3       -0.000281        0.000186        0.000076       -0.000019
+     Cl      4       -0.000281        0.000187        0.000076       -0.000018
+     Cl      5       -0.000283       -0.000369        0.000115       -0.000537
+     Cl      6       -0.000283       -0.000151        0.000158       -0.000275
+     Cl      7       -0.000283       -0.000243        0.000113       -0.000413
+     K       8       -0.000283        0.000013        0.000013       -0.000256
+     K       9       -0.000283        0.000013        0.000013       -0.000256
+     K      10       -0.000283       -0.000945        0.000690       -0.000538
+     K      11       -0.000283       -0.000944        0.000690       -0.000537
+     K      12       -0.000281        0.017289       -0.008304        0.008705
+     K      13       -0.000281        0.017290       -0.008304        0.008706
+     K      14       -0.000281        0.017290       -0.008304        0.008706
+     K      15       -0.000281        0.017290       -0.008304        0.008706
+     O      16        0.002686        0.106764       -0.083792        0.025658
+     O      17        0.002686        0.106763       -0.083792        0.025657

tests/EPR/7.3.1/KCl_O2-gtensor.in

@@ -0,0 +1,10 @@
+&inputgipaw
+    job = 'g_tensor'
+    prefix = 'superox'
+    tmp_dir = '/tmp/ceresoli/'
+    restart_mode = 'from_scratch'
+    verbosity = 'high'
+    diagonalization = 'cg'
+    q_gipaw = 0.01
+    spline_ps = .true.
+/

tests/EPR/7.3.1/KCl_O2-hyperfine.in

@@ -0,0 +1,12 @@
+&inputgipaw
+    job = 'hyperfine'
+    prefix = 'superox'
+    tmp_dir = '/tmp/ceresoli/'
+    restart_mode = 'from_scratch'
+    verbosity = 'high'
+    spline_ps = .true.
+    hfi_output_unit = 'MHz'
+    hfi_nuclear_g_factor(1) = 1         ! K
+    hfi_nuclear_g_factor(2) = 1         ! Cl
+    hfi_nuclear_g_factor(3) = -0.7575   ! O
+/