解决bug

2024-12-03 17:56:22 +08:00
parent eb6b903417
commit bf3c8430ed
7 changed files with 40 additions and 18 deletions
--- a/test/project-to-mode/config.yaml
+++ b/test/project-to-mode/config.yaml
@@ -1,4 +1,4 @@
-PrimativeCellBasisNumber: [ 16, 16, 16 ]
+PrimativeCellBasisNumber: [ 4, 4, 4 ]
 SuperQpointIndex: 0
 SubQpointIndex: 0
 PrimativeQpointIndex: 0
--- a/test/project-to-mode/data.zpp
+++ b/test/project-to-mode/data.zpp
--- a/test/unfold/config.yaml
+++ b/test/unfold/config.yaml
@@ -3,6 +3,7 @@ SuperCellDeformation:
  - [ 1, 0, 0 ]
  - [ 0.5, 1, 0 ]
  - [ 0, 0, 1 ]
+AtomTranslation: [ 0, 0, 5.0548836 ]
 PrimativeCellBasisNumber: [ 8, 8, 8 ]
 PrimativePhonopy: primitive-phonopy.yaml
 PrimativeQpoint: primitive-band.hdf5
--- a/test/zpp-to-yaml/data.zpp
+++ b/test/zpp-to-yaml/data.zpp