About the Running Abinit category


0

131

July 3, 2021

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


3

107

May 16, 2022

Abinit and anaddb dielectric tensor and effective charges outputs incoherences


4

143

May 16, 2022

A question about the fsum and DDK calculation


7

140

May 16, 2022

The kgb parallelization for RF calculations


3

92

May 16, 2022

DFTRaman Calculations for MnOxide Minerals


3

72

May 16, 2022

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


3

89

May 16, 2022

Fold2bloch and spin orbit coupling


1

41

May 12, 2022

Phonon dispersion of monolayer material


11

182

May 4, 2022

Absorption below band gap


0

39

April 25, 2022

vdW DF2 functional


8

287

April 7, 2022

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


1

53

April 6, 2022

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


2

59

April 6, 2022

ATDEP ascii input files


9

233

March 23, 2022

Problem related to band structure plot


3

102

March 7, 2022

Can we do independent meshes for each layer of atoms?


1

57

March 7, 2022

Calculate the thermal conductivity


0

73

March 6, 2022

Error with macroave


3

121

February 25, 2022

No kresolved spectral function as in DMFT tutorial


3

1117

February 19, 2022

Visualization of Phonon modes


1

95

February 9, 2022

A problem of dfpt calculation for optical utility


11

142

January 27, 2022

Density matrix entries


4

89

January 20, 2022

[Solved] PDOS of t2g and eg orbitals


2

116

January 19, 2022

How to remove the spiky features in layerresolved density of states?


4

101

January 11, 2022

How to calculate optical spectrum by finitetemperature BetheSalpeter equation in Abinit


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86

January 5, 2022

The spectral function of SrVO3 is different from the tutorial's


3

155

December 27, 2021

TypeError: 'NoneType' object is not subscriptable (in monoclinic lattice)


0

125

December 20, 2021

Charge transfer calculation (between molecule and substrate) using the AIM utility (Bader charge analysis)


3

130

December 9, 2021

[SOLVED] A question about the electron velocity in optical calculation


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220

December 11, 2021

Abinit stops with no error during geometric optimization


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165

December 9, 2021
