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Datasets:
atomology
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WannierDatasets

Tags:
physics
Wannier functions
License:
Dataset card Files
xet
 Community
qiaojunfeng commited on
Commit
4a7d25d
·
1 Parent(s): 6f89197

Add output u.mat files

Browse files
Files changed (6) hide show
  1. datasets/TiO2/cond/TiO2.chk +1 -0
  2. datasets/TiO2/cond/TiO2.win +1 -0
  3. datasets/TiO2/outputs/cond/TiO2_u.mat +3 -0
  4. datasets/TiO2/outputs/val/TiO2_u.mat +3 -0
  5. datasets/TiO2/val/TiO2.chk +1 -0
  6. datasets/TiO2/val/TiO2.win +1 -0
datasets/TiO2/cond/TiO2.chk ADDED
@@ -0,0 +1 @@
 
 
1
+ ../outputs/cond/TiO2.chk
datasets/TiO2/cond/TiO2.win CHANGED
@@ -13,6 +13,7 @@ write_tb = true
13
  bands_plot = true
14
  fermi_energy = 8.2941
15
  auto_projections = true
 
16
 
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  begin unit_cell_cart
18
  angstrom
 
13
  bands_plot = true
14
  fermi_energy = 8.2941
15
  auto_projections = true
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+ write_u_matrices = true
17
 
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  begin unit_cell_cart
19
  angstrom
datasets/TiO2/outputs/cond/TiO2_u.mat ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:34940de6d6954a087ef8e9959212d3a21efddcb986d2e1c8afcc76c68f7f2bfa
3
+ size 906408
datasets/TiO2/outputs/val/TiO2_u.mat ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:8090233f90d1dc4c3bce7ed01385c11be46a5512b4c645c4d8cf0b56f71e2638
3
+ size 2299176
datasets/TiO2/val/TiO2.chk ADDED
@@ -0,0 +1 @@
 
 
1
+ ../outputs/val/TiO2.chk
datasets/TiO2/val/TiO2.win CHANGED
@@ -13,6 +13,7 @@ write_tb = true
13
  bands_plot = true
14
  fermi_energy = 8.2941
15
  auto_projections = true
 
16
 
17
  begin unit_cell_cart
18
  angstrom
 
13
  bands_plot = true
14
  fermi_energy = 8.2941
15
  auto_projections = true
16
+ write_u_matrices = true
17
 
18
  begin unit_cell_cart
19
  angstrom