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atomology
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WannierDatasets

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Wannier functions

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qiaojunfeng commited on Feb 4

Commit

d00f81a

·

1 Parent(s): ed6a01f

Clean up input files

Files changed (2) hide show

datasets/Si2_hse/inputs/bands.in +0 -1
datasets/Si2_hse/inputs/scf.in +0 -1

datasets/Si2_hse/inputs/bands.in CHANGED Viewed

@@ -16,7 +16,6 @@
   occupations = 'smearing'
   smearing = 'cold'
   input_dft = 'hse'
-  ! ecutrho = ?
   ! ecutfock = ?
   nqx1 = 2
   nqx2 = 2

   occupations = 'smearing'
   smearing = 'cold'
   input_dft = 'hse'
   ! ecutfock = ?
   nqx1 = 2
   nqx2 = 2

datasets/Si2_hse/inputs/scf.in CHANGED Viewed

@@ -16,7 +16,6 @@
   occupations = 'smearing'
   smearing = 'cold'
   input_dft = 'hse'
-  ! ecutrho = ?
   ! ecutfock = ?
   nqx1 = 2
   nqx2 = 2

   occupations = 'smearing'
   smearing = 'cold'
   input_dft = 'hse'
   ! ecutfock = ?
   nqx1 = 2
   nqx2 = 2