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How important is it to store 1WF files?
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10
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572
|
January 5, 2023
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Strange phonon dispersion fcc structure
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1
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412
|
December 6, 2022
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Asymmetric Fermi window
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1
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184
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November 28, 2022
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Error parallelizing DFPT calculation
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3
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379
|
August 15, 2022
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Potential residual convergence in bilayer MoS2
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7
|
989
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June 18, 2022
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Calculated structure electron density (PAW)
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1
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389
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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
|
640
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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
|
336
|
May 16, 2022
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A question about the f-sum and DDK calculation
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7
|
668
|
May 16, 2022
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The kgb parallelization for RF calculations
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3
|
642
|
May 16, 2022
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DFT-Raman Calculations for Mn-Oxide Minerals
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3
|
493
|
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
|
596
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May 16, 2022
|
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vdW DF2 functional
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8
|
719
|
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
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312
|
April 6, 2022
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A problem of dfpt calculation for optical utility
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11
|
536
|
January 27, 2022
|
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TDepES Legacy code question(s)
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7
|
536
|
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
|
351
|
November 6, 2021
|
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The transition dipole moment calculation
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2
|
781
|
October 24, 2021
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The fermi-level of metal in the eph_task with inputfile
|
|
2
|
347
|
October 21, 2021
|
|
Output format of Effective charges tensor using DFPT
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|
3
|
333
|
October 15, 2021
|
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Optic: use of wfk_task instead of running nscf/ddk calculation
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3
|
485
|
February 20, 2023
|
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Computing static electro-optic coefficients by GGA+NC
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2
|
417
|
October 5, 2021
|
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Eigendisplacement units
|
|
1
|
616
|
September 16, 2021
|
|
the fermi-level of metal in the eph_task
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|
4
|
378
|
September 8, 2021
|
|
Overwriting default variables in Input File?
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|
4
|
467
|
August 18, 2021
|
|
[SOLVED] PAW carbon surface energy calculation diverges
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|
6
|
527
|
August 17, 2021
|
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Response function calculation of d/dk wave function with empty states
|
|
3
|
499
|
July 30, 2021
|
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Phonon calculation about q wavevectors setting
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|
1
|
2219
|
July 28, 2021
|
|
PAW+DFPT+GGA has unreasonable energy values
|
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5
|
839
|
July 28, 2021
|
|
Elastic constants of Cr
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|
2
|
968
|
July 28, 2021
|