Latest Ground state topics

Topic	Replies	Views	Activity
Moderators : Bogdan Guster @bguster, Alireza Sasani and Joe Zwanziger @jzwanzig For information, the moderators of this category are Bogdan Guster @bguster, Alireza Sasani and Joe Zwanziger @jzwanzig	1	275	July 10, 2021
About the Ground state category	0	351	January 10, 2021
Abinit interface to Wannier90 code for spinor wave functions	2	54	April 23, 2024
K-points for (111) surface BZ	1	13	April 23, 2024
Convergence problems Two-Component DFT	1	29	April 19, 2024
Decomposition of magnetization in mixalch calculation	1	30	April 9, 2024
Abinit getting stuck at 1st iteration	4	35	April 1, 2024
Not getting degenrate m-resolved DOS for t2g and eg orbitals of SrVO3 in real spherical harmonic basis	5	88	April 1, 2024
Paral_kgb 1 not working with bands / plane-waves parallelism	3	68	March 22, 2024
Parallel fallbacks Netcdf	19	169	March 18, 2024
Issues with Relaxing a Ni(119) Slab	10	69	March 13, 2024
Convergence problem for icutcoul	2	177	January 22, 2024
Missing file: scfo_DS3_1WF36	0	88	November 16, 2023
Large deviations in single-atom total energy calculations	3	104	November 10, 2023
Inconsistency in total energy with 2D cutoff	1	93	October 24, 2023
Hostfile to run abinit mpirun -np 32 -hostfile hosts ./abinit	1	101	October 10, 2023
How to interpret the warning "does not exist but found netcdf file with similar name."	1	79	October 6, 2023
Band structure calculation using Hybrid Functionals	0	166	September 26, 2023
Question about default parameters	0	64	September 26, 2023
Hybrids-Defects & coulomb cuttoff	0	109	September 20, 2023
Constrained relaxation, relax layers rigidly	2	144	August 19, 2023
Crash while performing positron calculation with larger vacancy parallelism	2	147	August 19, 2023
Nonlinear susceptibility calculated by HSE06 parallelism , optic	2	171	August 13, 2023
DFPT_CGWF WARNING : d2edt2 is zero, skipping update optic	4	246	July 29, 2023
Memory problem in positron Doppler broadening calculation	2	206	July 23, 2023
How do I get the same orientation of the lattice? optic	6	232	July 24, 2023
The paw pseudopotential calculation for nonlinear properties does not converge testing , optic	1	210	July 20, 2023
Electron density of the Kohn-Sham states at specific k-points in the band structure	4	216	July 17, 2023
_OPT file is not generated for conducti optic	13	195	July 13, 2023
Kptbounds coordinates for special points K and M for an fcc (111) hexagonal face	1	250	July 13, 2023