Add test for decoupled spin channels (compared to NOSOC and SOCSCL=0 calcs)

tests/KKRhost/test_inputs/test_03.2_NOSOC/NEWSOSOL_DECOUPLED_SPINS/inputcard

+      ***Running options*** 
+RUNOPT 
+full invLLOYD   NEWSOSOL
++-------+-------+-------+-------+-------+
+TESTOPT
+NOSOC
+
++-------+-------+-------+-------+-------+
+  LMAX=2    NSPIN=2   NATYP=4 
+--------------------------------------------
+ ** Description of lattice**
+ALATBASIS= 10.263
+LATTICE=1
+BRAVAIS 
+  0.0   0.5   0.5
+  0.5   0.0   0.5
+  0.5   0.5   0.0
+----------------------------------------------------------------------
+NAEZ=4   NEMB=0   NEMBZ=0  KAOEZ=1
+CARTESIAN= f
+RBASIS                                  <SOCSCL>
+        0.00000    0.00000    0.00000    0.0
+        0.25000    0.25000    0.25000    0.0
+        0.50000    0.50000    0.50000    0.0
+        0.75000    0.75000    0.75000    0.0
+----------------------------------------------------------------------
+Parameters for the clusters    (if same spherical cluster else cylindrical)
+RCLUSTZ=1.05d0
+----------------------------------------------------------------------
+ATOMINFO
+Z     LMXC    KFG     CLS   REFPOT   NTC    FAC    IRNS   RMT     WGHT
+14.0   3    2 1 0 0    1      1       1     1.00   208    2.2d0   1.0d0
+14.0   3    2 1 0 0    1      1       1     1.00   208    2.2d0   1.0d0
+ 0.0   0    0 0 0 0    1      1       1     1.00   208    2.2d0   1.0d0
+ 0.0   0    0 0 0 0    1      1       1     1.00   208    2.2d0   1.0d0
+----------------------------------------------------------------------
+EMIN      EMAX       TEMPR      NPOL      NPT1    NPT2     NPT3  
+-0.40     1.2         473.d0     5         3       10       3
+----------------------------------------------------------------------
+BZDIVIDE= 10 10 10 
+----------------------------------------------------------------------
+NSTEPS     IMIX    STRMIX       FCM       QBOUND    BRYMIX      ITDBRY
+ 1          5      0.010        20.0      1.D-8      0.06        20
+----------------------------------------------------------------------
+Parameters for ewald sums
+RMAX=7.0d0     GMAX=65.0d0     (fcc 7  65)
+----------------------------------------------------------------------
+
+NPAN_LOG= 8
+NPAN_EQ=  3
+NCHEB=    7
+R_LOG=    0.60
+
+<decouple_spins_cheby>= T

tests/KKRhost/test_inputs/test_03.2_NOSOC/NEWSOSOL_DECOUPLED_SPINS/potential

+../potential
\ No newline at end of file

tests/KKRhost/test_inputs/test_03.2_NOSOC/NEWSOSOL_DECOUPLED_SPINS/shapefun

+../shapefun
\ No newline at end of file

tests/KKRhost/tools/run_test_03_2.sh

@@ -11,5 +11,9 @@ cd ..
 cd NEWSOSOL_SOCSCL0/
 mpirun -np 3 ../../../kkr.x | tee out_kkr
 grep -A10000 'Information on renormalization by Lloyds formula' output.000.txt > out_last.txt
-cd ../../
+cd ../
 
+cd NEWSOSOL_DECOUPLED_SPINS/
+mpirun -np 3 ../../../kkr.x | tee out_kkr
+grep -A10000 'Information on renormalization by Lloyds formula' output.000.txt > out_last.txt
+cd ../../

tests/KKRhost/tools/test_verify_results.py

@@ -241,11 +241,16 @@ class Test_SOC():
         # check convergence of both runs
         standard_verify(path0+'NEWSOSOL_NOSOC/', rms_threshold=1.5*10**-6, rms_threshold_end=1.5*10**-6, neutr_threshold=8*10**-5)
         standard_verify(path0+'NEWSOSOL_SOCSCL0/', rms_threshold=1.5*10**-6, rms_threshold_end=1.5*10**-6, neutr_threshold=8*10**-5)
+        standard_verify(path0+'NEWSOSOL_DECOUPLED_SPINS//', rms_threshold=1.5*10**-6, rms_threshold_end=1.5*10**-6, neutr_threshold=8*10**-5)
         # cross check both runs against each other (comparing output writte to 'out_last.txt')
         num, text = read_file(path0+'NEWSOSOL_NOSOC/out_last.txt')
         num_ref, text_ref = read_file(path0+'NEWSOSOL_SOCSCL0/out_last.txt')
         assert std(num-num_ref)<5*10**-12
         assert set(text)-set(text_ref)==set()
+        # compare also to decoupled spin channels
+        num, text = read_file(path0+'NEWSOSOL_DECOUPLED_SPINS/out_last.txt')
+        assert std(num-num_ref)<5*10**-12
+        assert set(text)-set(text_ref)==set()
 
     def test_4_Jijs_SOC(self):
         paths = ['test_run04.1_hybrid_1_3/']