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OCEAN
BSE code for core spectroscopy
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v3.1.3
#333
jtv3
opened
3 weeks ago
0
Don't allow epsilon=1 in HLL model
#332
jtv3
opened
1 month ago
0
Further extend ONCVPSP
#331
jtv3
opened
2 months ago
0
Bad screening warning is incorrect
#330
jtv3
closed
2 months ago
0
Detect when oncvpsp wasn't compiled with OCEAN support
#329
jtv3
opened
2 months ago
0
Can not find Ho pseudopotential in Pseudo Dojo library
#328
deyulu
opened
2 months ago
6
parallel build fails: Fatal Error: Cannot open module file 'iomod.mod' for reading at (1): No such file or directory
#327
yurivict
opened
5 months ago
2
Run OCEAN on charged system
#326
KeweiZhao
closed
3 months ago
2
Check that requested core level is allowed by pseudopotentials
#325
jtv3
opened
8 months ago
0
Issues with the examples
#324
mretegan
opened
9 months ago
4
Develop
#323
jtv3
closed
10 months ago
0
Fixes for the core-level shifts to not included V_xc (in QE)
#322
jtv3
closed
10 months ago
0
Binaries aren't linked with MPI
#321
yurivict
closed
10 months ago
2
Update VersionNumber
#320
jtv3
closed
10 months ago
0
Develop
#319
jtv3
closed
10 months ago
0
Develop
#318
jtv3
closed
10 months ago
0
Develop
#317
jtv3
closed
1 year ago
0
Bug in QEdriver.pl where metal detection wouldn't work for skipping ph.x
#316
jtv3
closed
1 year ago
0
Develop
#315
jtv3
closed
1 year ago
0
Optional argument was accessed in IF statements, compiler dependent
#314
jtv3
closed
1 year ago
0
Develop
#313
jtv3
closed
1 year ago
0
Bugs with setting epsilon from input
#312
jtv3
closed
1 year ago
0
Develop
#311
jtv3
closed
1 year ago
0
Develop
#310
jtv3
closed
1 year ago
0
bse.core.strength
#309
jtv3
closed
1 year ago
6
Problem w/ core-level GMRES in latest
#308
jtv3
closed
10 months ago
2
QE verbatim sections
#307
jtv3
closed
1 year ago
2
Detect QE version for diagonalization options
#306
jtv3
closed
1 year ago
1
Updating release notes
#305
jtv3
closed
1 year ago
0
Develop
#304
jtv3
closed
1 year ago
0
3.0
#303
jtv3
closed
1 year ago
0
3.0
#302
jtv3
closed
1 year ago
0
Compilation error
#301
mretegan
closed
1 year ago
1
Develop
#300
jtv3
closed
1 year ago
0
3.0
#299
jtv3
closed
1 year ago
0
Develop
#298
jtv3
closed
1 year ago
0
3.0
#297
jtv3
closed
1 year ago
0
Improved perl regex for numbers
#296
jtv3
opened
1 year ago
0
Update QEdriver to handle plus sign in nelec exponent; fixes #290
#295
max-radin
closed
1 year ago
0
Test nbands
#294
jtv3
opened
1 year ago
0
Spin and Hubbard with QE
#293
jtv3
opened
1 year ago
2
paw.txt not copied for lda+u calculations. This is an issue with pre-3 versions, but I believe it is also an issue with version 3+
#292
jjkas
closed
1 year ago
3
3.0
#291
jtv3
closed
1 year ago
0
segfault in diamond example
#290
max-radin
closed
1 year ago
4
Develop
#289
jtv3
closed
2 years ago
0
Develop
#288
jtv3
closed
2 years ago
0
Re-factor how the BSE term strengths are set
#287
jtv3
opened
2 years ago
0
Example of Cu at finite temperature
#286
jtv3
closed
2 years ago
0
Parsing stage too noisy
#285
jtv3
opened
2 years ago
0
Make sure OPF changes trigger PREP rerun
#284
jtv3
closed
2 years ago
0
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