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Phonon frequencies change with nband for insulating
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1
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204
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April 11, 2023
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EPH Task 11 netCDF error
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10
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353
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March 13, 2023
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hBN phonons, no LO-TO splitting
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3
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411
|
February 10, 2023
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DFPT + quasi-Fermi level method (occopt 9)
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3
|
302
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February 1, 2023
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EPH codes yield different results
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4
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283
|
January 18, 2023
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How important is it to store 1WF files?
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10
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401
|
January 5, 2023
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Strange phonon dispersion fcc structure
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1
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326
|
December 6, 2022
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Asymmetric Fermi window
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1
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154
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November 28, 2022
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Error parallelizing DFPT calculation
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3
|
321
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August 15, 2022
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Potential residual convergence in bilayer MoS2
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7
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828
|
June 18, 2022
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Calculated structure electron density (PAW)
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1
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361
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June 2, 2022
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Abinit and anaddb dielectric tensor and effective charges outputs incoherences
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5
|
555
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May 19, 2022
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Asked to delete not existent file: <filename>.abo_PRT1
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3
|
305
|
May 16, 2022
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A question about the f-sum and DDK calculation
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7
|
563
|
May 16, 2022
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The kgb parallelization for RF calculations
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3
|
508
|
May 16, 2022
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DFT-Raman Calculations for Mn-Oxide Minerals
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3
|
358
|
May 16, 2022
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How to calculate phonon at wavevector q = 1/3 0 0 of HCP structure
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3
|
499
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May 16, 2022
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vdW DF2 functional
|
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8
|
640
|
April 7, 2022
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The phonon calculation under finite electric field cannot calculate the response of q = 0 and the response of electric field
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1
|
272
|
April 6, 2022
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A problem of dfpt calculation for optical utility
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|
11
|
482
|
January 27, 2022
|
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TDepES Legacy code question(s)
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7
|
481
|
November 17, 2021
|
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Is kgb parallelisation available for electric field calculation on abinit v8.10.3?
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5
|
315
|
November 6, 2021
|
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The transition dipole moment calculation
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2
|
670
|
October 24, 2021
|
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The fermi-level of metal in the eph_task with inputfile
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2
|
305
|
October 21, 2021
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Output format of Effective charges tensor using DFPT
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3
|
285
|
October 15, 2021
|
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Optic: use of wfk_task instead of running nscf/ddk calculation
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3
|
431
|
February 20, 2023
|
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Computing static electro-optic coefficients by GGA+NC
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2
|
344
|
October 5, 2021
|
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Eigendisplacement units
|
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1
|
546
|
September 16, 2021
|
|
the fermi-level of metal in the eph_task
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|
4
|
310
|
September 8, 2021
|
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Overwriting default variables in Input File?
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|
4
|
412
|
August 18, 2021
|