Increase tolerance on eigvals = 0 (for which DSF to be neglected)

SpinW · Apr 21, 2023 · fadc685 · fadc685
1 parent d72569f
commit fadc685
Show file tree

Hide file tree

Showing 2 changed files with 9 additions and 9 deletions.
diff --git a/+sw_tests/+system_tests/systemtest_spinwave_incommensurate_and_supercell_consistency.m b/+sw_tests/+system_tests/systemtest_spinwave_incommensurate_and_supercell_consistency.m
@@ -50,13 +50,13 @@ function test_AFM_kagome(testCase)
                                  'n',n, 'S', S, 'nExt',[1 1 1]);
             testCase.disable_warnings('spinw:spinwave:NonPosDefHamiltonian');
             spec_incom = AF33kagome.spinwave(qarg, 'hermit', true);
-            spec_incom = sw_egrid(spec_incom, 'component','Sxx+Syy+Szz', 'Evect',evec);
+            spec_incom = sw_egrid(spec_incom, 'component','Sperp', 'Evect',evec);
             % use supercell k=0 structure
             AF33kagome.genmagstr('mode','helical','unit','lu', 'k', k,...
                                  'n',n, 'S', S, 'nExt', [3,3,1]);
 
-            spec_super = AF33kagome.spinwave(qarg, 'hermit', false);
-            spec_super = sw_egrid(spec_super, 'component','Sxx+Syy+Szz', 'Evect',evec);
+            spec_super = AF33kagome.spinwave(qarg, 'hermit', true);
+            spec_super = sw_egrid(spec_super, 'component','Sperp', 'Evect',evec);
 
             testCase.assert_super_and_incom_consistency(AF33kagome, ...
                                                         spec_super, ...
@@ -86,17 +86,16 @@ function test_two_matom_per_unit_cell(testCase)
             evec = 0:0.5:5;
 
             % use structural unit cell with incommensurate k
-            testCase.disable_warnings('spinw:spinwave:NonPosDefHamiltonian', ...
-                                      'spinw:magstr:NotExact', ...
+            testCase.disable_warnings('spinw:magstr:NotExact', ...
                                       'spinw:spinwave:Twokm');
             FeCuChain.genmagstr('mode','helical','k', k,...
                                 'S', S, 'nExt',[1 1 1]);
-            spec_incom = FeCuChain.spinwave(qarg, 'hermit', true);
+            spec_incom = FeCuChain.spinwave(qarg, 'hermit', false);
             spec_incom = sw_egrid(spec_incom, 'component','Sperp', 'Evect',evec);
             % use supercell k=0 structure
             FeCuChain.genmagstr('mode','helical','k', k,...
                                 'S', S, 'nExt', [2,1,1]);
-            spec_super = FeCuChain.spinwave(qarg, 'hermit', true);
+            spec_super = FeCuChain.spinwave(qarg, 'hermit', false);
             spec_super = sw_egrid(spec_super, 'component','Sperp', 'Evect',evec);
 
             testCase.assert_super_and_incom_consistency(FeCuChain, ...

diff --git a/swfiles/sw_egrid.m b/swfiles/sw_egrid.m
@@ -480,8 +480,9 @@
             [~, ihkl] = ind2sub(size(ien), 1:numel(ien));
             % NaN in ien implies eigvals not in extent of Evect
             % also include only nonzero eigenvalues (DSF can blow up at
-            % zero energy)
-            ien_valid = abs(real_eigvals(:)) > 1e-10 &  ~isnan(ien(:));
+            % zero energy) tolerance from test using AFM kagome tutorial 8
+            % systemtest_spinwave_incommensurate_and_supercell_consistency/test_AFM_kagome
+            ien_valid = abs(real_eigvals(:)) > 1e-7 &  ~isnan(ien(:));
             sw_conv_idx = [ien(ien_valid), ihkl(ien_valid)']; % index in swConv
             % sum intensities and pad energies above max eigval with 0
             swConv{ii,tt} = accumarray(sw_conv_idx, DSF{ii,tt}(ien_valid), [nE, nHkl]);