Running Abinit

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

Topic	Replies	Views	Activity
About the Running Abinit category Running Abinit	0	286	July 3, 2021
Usecprj=0 : BUG in init_plowannier Ground state	1	16	June 3, 2023
K-points problem in cRPA Ground state	1	32	June 1, 2023
Fatbands using norm-conserving pseudopotential Ground state	4	32	May 31, 2023
Shiftk not fully printed out in output file Ground state	0	13	May 26, 2023
Problem encountered while calculating spectral function (DMFT) using OmegaMaxEnt Many-body theory	12	61	May 24, 2023
Partial charge density Ground state	2	27	May 23, 2023
Pockels calculation using anaddb Response calculations	0	46	May 23, 2023
Quasi Fermi level keeps crashing - Occopt 9 Ground state	2	34	May 22, 2023
Something wrong in plotting Ground state	3	54	May 10, 2023
'mode effective charge' in anaddb post-processing routine Other tools and postprocessing in ABINIT	2	36	May 9, 2023
Charge density calculation fails using prtden 4 Ground state	2	47	May 8, 2023
Printing WFK file for some bands only Ground state	1	44	May 8, 2023
Calculating the q resolved Eliashberg function Response calculations	3	82	May 2, 2023
Bethe-Saltpeter error Many-body theory	5	56	April 24, 2023
Abipy - write bands etc. to text files Python interfacing : Abipy ecosystem	3	91	April 18, 2023
Phonon frequencies change with nband for insulating Response calculations	1	66	April 11, 2023
Error: "two consecutive points in the path which are equal" during band structure calculations Ground state	3	65	April 11, 2023
Positron Doppler calculation fails Ground state parallelism	5	148	March 30, 2023
Piezoelectric tensor Response calculations	6	67	March 27, 2023
Convergence problem for icutcoul Ground state	1	42	March 25, 2023
No min/max C6 in for Van der Waals correction Ground state	0	45	March 22, 2023
Fail to run on MacOS catalina Ground state	2	87	March 21, 2023
EPH Task 11 netCDF error Response calculations parallelism	10	111	March 13, 2023
Segfault when computing screening matrix Many-body theory	5	102	February 24, 2023
GW with kptrlatt Many-body theory	3	113	February 20, 2023
hBN phonons, no LO-TO splitting Response calculations	3	128	February 10, 2023
Finite temperature Ground state	1	65	February 10, 2023
Error importing ``abilab`` - ``pymatgen ModuleNotFound Error`` Python interfacing : Abipy ecosystem testing	2	245	February 7, 2023
DFPT + quasi-Fermi level method (occopt 9) Response calculations	3	74	February 1, 2023