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camd
cmr
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Created date
Added scripts to calculate bulk modulus and deformation potential
!4
· created
Jun 09, 2017
by
Sten Haastrup
Closed
2
updated
Jun 13, 2017
WIP: Resolve "Colors for Fermi-surfaces"
!6
· created
Jun 12, 2017
by
Morten Gjerding
Closed
updated
Jun 12, 2017
Don't waste time on unstable structures.
!40
· created
Sep 05, 2017
by
Jens Jørgen Mortensen
Closed
0 of 1 Approvals
updated
Sep 05, 2017
WIP: Resolve "Deformation potential"
!41
· created
Sep 06, 2017
by
Sten Haastrup
Closed
updated
Sep 06, 2017
Run the strain calculations, then calculate deformation potentials
!43
· created
Sep 06, 2017
by
Sten Haastrup
Closed
0 of 1 Approvals
updated
Feb 22, 2018
Fix assertions in rmsd
!45
· created
Sep 08, 2017
by
Sten Haastrup
Closed
0 of 1 Approvals
updated
Oct 12, 2017
BUG: mapping into intermediate cell
!52
· created
Oct 11, 2017
by
Peter Larsen
Closed
updated
Oct 11, 2017
WIP: A better BFGS
!60
· created
Nov 24, 2017
by
Jens Jørgen Mortensen
Closed
1
0 of 1 Approvals
updated
Nov 27, 2017
Ehmasses parallel fix
!69
· created
Dec 07, 2017
by
Mikkel Strange
Closed
0 of 1 Approvals
updated
Dec 07, 2017
WIP: Include all relevant 2D systems on convex-hull plots
!79
· created
Dec 21, 2017
by
Jens Jørgen Mortensen
Closed
1
0 of 1 Approvals
updated
Feb 19, 2018
WIP: Collect gaps
!86
· created
Jan 17, 2018
by
Mikkel Strange
Closed
0 of 1 Approvals
updated
Feb 05, 2018
WIP: Print last line of err msg from slurm
!89
· created
Jan 22, 2018
by
Morten Gjerding
Closed
2
0 of 1 Approvals
updated
Mar 21, 2018
WIP: Good kpts
!96
· created
Jan 29, 2018
by
Mikkel Strange
Closed
0 of 1 Approvals
updated
Feb 20, 2018
WIP: niggli reduce structure before writting gs and doing phonons
!104
· created
Feb 05, 2018
by
Mikkel Strange
Closed
2
0 of 1 Approvals
updated
Aug 29, 2018
WIP: use ibz2bz to avoid calculations without symmetry
0 of 4 checklist items completed
!110
· created
Feb 09, 2018
by
Mikkel Strange
C2DB
Closed
1
0 of 1 Approvals
updated
Oct 10, 2018
WIP: gw check fix
!143
· created
Apr 04, 2018
by
Mikkel Strange
C2DB
Closed
0 of 1 Approvals
updated
Oct 10, 2018
WIP: do not set basis
!151
· created
May 03, 2018
by
Anders Riis-Jensen
Closed
1
0 of 1 Approvals
updated
May 11, 2018
WIP: Use more flexible layout technique
!170
· created
Jul 31, 2018
by
Jens Jørgen Mortensen
Closed
0 of 1 Approvals
updated
Oct 02, 2018
Always check for stability after calculating phonons
!175
· created
Aug 20, 2018
by
Sten Haastrup
Closed
1
0 of 1 Approvals
updated
Aug 28, 2018
Check dynamic stability when choosing prototype representative
!177
· created
Aug 28, 2018
by
Sten Haastrup
Closed
0 of 1 Approvals
updated
Sep 24, 2018
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