About the Running Abinit category


0

178

July 3, 2021

Error parallelizing DFPT calculation


2

15

August 11, 2022

Internal energy result mismatch with comparison values at small cell sizes


1

52

August 11, 2022

PAW. build core density and valence electron density files


11

55

July 5, 2022

Interpreting DOS of heterogeneous structure


0

43

July 5, 2022

Some questions about the use of ABINIT for computing formation energies


1

39

July 4, 2022

Potential residual convergence in bilayer MoS2


7

225

June 18, 2022

AFM calculations


1

74

June 17, 2022

Calculated structure electron density (PAW)


1

93

June 2, 2022

Absorption below band gap


1

84

June 2, 2022

Abinit and anaddb dielectric tensor and effective charges outputs incoherences


5

213

May 19, 2022

Asked to delete not existent file: <filename>.abo_PRT1


3

151

May 16, 2022

A question about the fsum and DDK calculation


7

205

May 16, 2022

The kgb parallelization for RF calculations


3

141

May 16, 2022

DFTRaman Calculations for MnOxide Minerals


3

130

May 16, 2022

How to calculate phonon at wavevector q = 1/3 0 0 of HCP structure


3

148

May 16, 2022

Fold2bloch and spin orbit coupling


1

93

May 12, 2022

Phonon dispersion of monolayer material


11

243

May 4, 2022

vdW DF2 functional


8

327

April 7, 2022

The phonon calculation under finite electric field cannot calculate the response of q = 0 and the response of electric field


1

98

April 6, 2022

SCF convergence detoriates and oscillates after certain steps during structure relaxation with vacancies


2

129

April 6, 2022

ATDEP ascii input files


9

319

March 23, 2022

Problem related to band structure plot


3

154

March 7, 2022

Can we do independent meshes for each layer of atoms?


1

99

March 7, 2022

Calculate the thermal conductivity


0

107

March 6, 2022

Error with macroave


3

206

February 25, 2022

No kresolved spectral function as in DMFT tutorial


3

1188

February 19, 2022

Visualization of Phonon modes


1

127

February 9, 2022

A problem of dfpt calculation for optical utility


11

193

January 27, 2022

Density matrix entries


4

127

January 20, 2022
