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	0	343	July 10, 2021
About the Ground state category	0	404	January 10, 2021
Hybrid Functional Calculation	2	70	August 13, 2026
How to obtain the band structure using hybrid functionals?	3	105	August 3, 2026
Confusion with phonon wave vectors in DFPT testing	2	97	June 30, 2026
PBE SOC calculations using HGH pseudopotentials	3	99	June 30, 2026
Obtaining both deep localized and shallow delocalized states of Be acceptor in GaN using ABINIT	1	53	June 18, 2026
Struggling with relaxation of PbS slab (triclinic unit cell)	3	125	May 1, 2026
SCF convergence failure using local exact exchange	0	62	April 29, 2026
Tag for dipole correction in monolayers testing	1	81	February 11, 2026
Runtime error when using PAW: m_pawrhoij=>NetCDF: Name contains illegal characters	1	87	February 2, 2026
TiO2 hybrid functionals parallelism hybrid-functionals , parallelism	1	67	January 15, 2026
How to Perform Nudge Elastic Bands calculation	3	131	January 6, 2026
Dynamical matrix with LO-TO splitting	3	151	January 6, 2026
STM charge density	2	107	November 28, 2025
Looking Error Message Explanation and guidances	1	90	November 28, 2025
Pulay stress and pressure_GPa	0	61	November 7, 2025
Relaxation with Symmetry Preserved	1	124	November 5, 2025
Spin-Orbit matrix elements testing	2	132	October 28, 2025
Dynamical matrix and phonon frequency	2	162	October 13, 2025
WS mesh error message	1	90	August 28, 2025
Perform phonon calculations	4	207	July 22, 2025
Incorrect space group symmetry of impure TiO2 lattice	2	193	June 19, 2025
Constrained DFT - Difficulty Finding Fermi Energy testing	1	149	June 19, 2025
Dos calculation	6	398	June 9, 2025
Efficiency of calculating large supercells	4	234	May 21, 2025
Band structure calculation using SOC testing	3	242	May 6, 2025
Number of electron in the valence band	2	122	April 29, 2025
Input file for TB-mBJ correction	1	133	April 29, 2025
Comparison between collinear and non-collinear ferromagnetic magnetization using constrained	5	270	April 10, 2025