Running Abinit

Many-body perturbation theory GW, Bethe-Salpeter … Response calculations DFPT : Phonons, electron-phonon, electric-field response, mechanical response, magnetic reponse… Ground state Total energy, geometry optimization, DFT+U, spin… Python interfacing : Abipy ecosystem questions related to abipy and abiflows Link to other codes External optional components of Abinit (BigDFT, Wannier90…) and codes using/providing data from/to Abinit (AtomPAW, ONCVPSP, EXC, DP, Yambo…) Other tools and postprocessing in ABINIT Posts related to MULTIBINIT, aTDEP, ANADDB, optics, cut3d, mrg* postprocessors, …

Topic	Replies	Views	Activity
About the Running Abinit category Running Abinit	0	131	July 3, 2021
Asked to delete not existent file: <filename>.abo_PRT1 Response calculations	3	107	May 16, 2022
Abinit and anaddb dielectric tensor and effective charges outputs incoherences Response calculations	4	143	May 16, 2022
A question about the f-sum and DDK calculation Response calculations	7	140	May 16, 2022
The kgb parallelization for RF calculations Response calculations parallelism	3	92	May 16, 2022
DFT-Raman Calculations for Mn-Oxide Minerals Response calculations	3	72	May 16, 2022
How to calculate phonon at wavevector q = 1/3 0 0 of HCP structure Response calculations optic	3	89	May 16, 2022
Fold2bloch and spin orbit coupling Python interfacing : Abipy ecosystem	1	41	May 12, 2022
Phonon dispersion of monolayer material Ground state	11	182	May 4, 2022
Absorption below band gap Other tools and postprocessing in ABINIT optic	0	39	April 25, 2022
vdW DF2 functional Response calculations	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 Response calculations	1	53	April 6, 2022
SCF convergence detoriates and oscillates after certain steps during structure relaxation with vacancies Ground state	2	59	April 6, 2022
A-TDEP ascii input files Other tools and postprocessing in ABINIT	9	233	March 23, 2022
Problem related to band structure plot Ground state	3	102	March 7, 2022
Can we do independent meshes for each layer of atoms? Ground state testing	1	57	March 7, 2022
Calculate the thermal conductivity Other tools and postprocessing in ABINIT	0	73	March 6, 2022
Error with macroave Other tools and postprocessing in ABINIT	3	121	February 25, 2022
No k-resolved spectral function as in DMFT tutorial Many-body perturbation theory	3	1117	February 19, 2022
Visualization of Phonon modes Other tools and postprocessing in ABINIT	1	95	February 9, 2022
A problem of dfpt calculation for optical utility Response calculations parallelism	11	142	January 27, 2022
Density matrix entries Ground state	4	89	January 20, 2022
[Solved] PDOS of t2g and eg orbitals Other tools and postprocessing in ABINIT	2	116	January 19, 2022
How to remove the spiky features in layer-resolved density of states? Ground state	4	101	January 11, 2022
How to calculate optical spectrum by finite-temperature Bethe-Salpeter equation in Abinit Many-body perturbation theory	0	86	January 5, 2022
The spectral function of SrVO3 is different from the tutorial's Many-body perturbation theory	3	155	December 27, 2021
TypeError: 'NoneType' object is not subscriptable (in monoclinic lattice) Python interfacing : Abipy ecosystem	0	125	December 20, 2021
Charge transfer calculation (between molecule and substrate) using the AIM utility (Bader charge analysis) Ground state	3	130	December 9, 2021
[SOLVED] A question about the electron velocity in optical calculation Other tools and postprocessing in ABINIT optic	6	220	December 11, 2021
Abinit stops with no error during geometric optimization Ground state	6	165	December 9, 2021