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Unintentional symmetry breaking in unit cell convergece
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3
|
131
|
May 27, 2024
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DFPT+U doesnt work for q != Gamma
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12
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395
|
May 10, 2024
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Abinit interface to Wannier90 code for spinor wave functions
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4
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160
|
May 1, 2024
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Charge transfer calculation (between molecule and substrate) using the AIM utility (Bader charge analysis)
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4
|
635
|
April 28, 2024
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K-points for (111) surface BZ
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2
|
113
|
April 24, 2024
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Wannier functions for cRPA & DMFT with several correlated sites in unit-cell
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1
|
128
|
April 16, 2024
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Decomposition of magnetization in mixalch calculation
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1
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84
|
April 9, 2024
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Abinit getting stuck at 1st iteration
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4
|
108
|
April 1, 2024
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Not getting degenrate m-resolved DOS for t2g and eg orbitals of SrVO3 in real spherical harmonic basis
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5
|
147
|
April 1, 2024
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Problem with anaddb phonon interpolation
|
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7
|
177
|
March 27, 2024
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Paral_kgb 1 not working with bands / plane-waves
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3
|
123
|
March 22, 2024
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Parallel fallbacks Netcdf
|
|
19
|
384
|
March 18, 2024
|
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Resuming calculation after stopping
|
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1
|
232
|
March 18, 2024
|
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Issues with Relaxing a Ni(119) Slab
|
|
10
|
188
|
March 13, 2024
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Question on Wannier90 get_projections when SOC is taken into account
|
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5
|
532
|
March 9, 2024
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Abipy workdir-error
|
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4
|
117
|
February 27, 2024
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PAW calculation in EPH
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2
|
128
|
January 22, 2024
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Convergence problem for icutcoul
|
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2
|
230
|
January 22, 2024
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ONCVPSP for Uranium? Xe.hpc.paw, Kr.hpc.paw?
|
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0
|
126
|
December 21, 2023
|
|
Phonon eigenvectors at just one q-point
|
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1
|
163
|
December 10, 2023
|
|
Missing file: scfo_DS3_1WF36
|
|
0
|
150
|
November 16, 2023
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|
Restart from previous DFPT calculations
|
|
1
|
280
|
November 14, 2023
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DFPT calculations , wave-functions dont converge
|
|
6
|
375
|
November 12, 2023
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|
Large deviations in single-atom total energy calculations
|
|
3
|
234
|
November 10, 2023
|
|
Temperature-dependent Fermi level in EPH code
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|
4
|
146
|
November 7, 2023
|
|
DFTP NLO tutorial broken
|
|
1
|
175
|
November 5, 2023
|
|
Inconsistency in total energy with 2D cutoff
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|
1
|
143
|
October 24, 2023
|
|
Kpt boundaries for cubic supercell
|
|
3
|
426
|
October 11, 2023
|
|
Hostfile to run abinit mpirun -np 32 -hostfile hosts ./abinit
|
|
1
|
159
|
October 10, 2023
|
|
How to interpret the warning "does not exist but found netcdf file with similar name."
|
|
1
|
116
|
October 6, 2023
|