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gpaw
gpaw
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Created date
Draft: Order optimal orbitals after sic calculation
!2293
· created
May 13, 2024
by
Gianluca Levi
updated
May 13, 2024
Remove PBC error in plane wave mode / dipole.
!2292
· created
May 08, 2024
by
Andrew Peterson
updated
May 08, 2024
Draft: Clean up mathematical redundancies in the Chi0DysonEquation
!2290
· created
May 08, 2024
by
Thorbjørn Skovhus
Response
updated
May 08, 2024
Draft: Introduce df descriptors
!2287
· created
May 07, 2024
by
Thorbjørn Skovhus
Response
updated
May 08, 2024
Draft: Clean up dielectric matrix data
!2286
· created
May 07, 2024
by
Thorbjørn Skovhus
Response
updated
May 07, 2024
Draft: Test 2d dielectric function in agts
!2285
· created
May 07, 2024
by
Thorbjørn Skovhus
Response
updated
May 07, 2024
Draft: Minimal coupling between df and qeh
!2284
· created
May 07, 2024
by
Thorbjørn Skovhus
Response
updated
May 07, 2024
Clean up inverse dielectric function
!2282
· created
May 06, 2024
by
Thorbjørn Skovhus
Response
updated
May 08, 2024
Sparse atomic corrections to new GPAW round 2: Parallel basis index fix
!2279
· created
May 01, 2024
by
Anubhab Haldar
updated
May 01, 2024
Draft: Add possibility to calculate one q-point at time (for multi job parallelization)
!2278
· created
Apr 30, 2024
by
Mikael Kuisma
updated
Apr 30, 2024
validate_dict was comparing equality on floating point list
!2274
· created
Apr 30, 2024
by
Mikael Kuisma
Response
4
updated
May 08, 2024
Draft: Dipole-layer and Constant-e-field stuff
!2266
· created
Apr 22, 2024
by
Jens Jørgen Mortensen
updated
Apr 26, 2024
Draft: Simple real-space grid check
!2264
· created
Apr 22, 2024
by
Jens Jørgen Mortensen
updated
Apr 30, 2024
FIX: quick fix for failing spin contamination
!2262
· created
Apr 16, 2024
by
Michael Walter
8
Approved
updated
Apr 26, 2024
Draft: Separate direct and indirect term loops, modify get_density_matrix to directly...
!2255
· created
Apr 09, 2024
by
Mikael Kuisma
Response
4
updated
May 06, 2024
Added "bands" to the convergence criteria output section
!2236
· created
Mar 27, 2024
by
Terence Tsang
updated
Mar 27, 2024
Draft: Update to ASE Wannier functions
!2224
· created
Mar 25, 2024
by
JakobKSvaneborg
updated
Mar 27, 2024
Add field enhancement example to LCAOTDDFT tutorial
!2219
· created
Mar 22, 2024
by
Tuomas Rossi
8
updated
Mar 25, 2024
Draft: Try improving pseudopotential accuracy
!2205
· created
Mar 14, 2024
by
Mikael Kuisma
updated
May 06, 2024
Try to clean up mapping from basis functions to partial waves + fix GLLBSC bug
!2203
· created
Mar 13, 2024
by
Jens Jørgen Mortensen
3
updated
Apr 02, 2024
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