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	310	July 10, 2021
About the Ground state category	0	374	January 10, 2021
STM charge density	0	3	November 10, 2025
Pulay stress and pressure_GPa	0	6	November 7, 2025
Looking Error Message Explanation and guidances	0	6	November 6, 2025
Relaxation with Symmetry Preserved	1	8	November 5, 2025
Spin-Orbit matrix elements testing	2	27	October 28, 2025
Dynamical matrix with LO-TO splitting	2	21	October 24, 2025
Dynamical matrix and phonon frequency	2	39	October 13, 2025
WS mesh error message	1	28	August 28, 2025
Perform phonon calculations	4	56	July 22, 2025
Incorrect space group symmetry of impure TiO2 lattice	2	59	June 19, 2025
Constrained DFT - Difficulty Finding Fermi Energy testing	1	45	June 19, 2025
Dos calculation	6	121	June 9, 2025
Efficiency of calculating large supercells	4	103	May 21, 2025
Band structure calculation using SOC testing	3	77	May 6, 2025
Number of electron in the valence band	2	33	April 29, 2025
Input file for TB-mBJ correction	1	34	April 29, 2025
Comparison between collinear and non-collinear ferromagnetic magnetization using constrained	5	87	April 10, 2025
Understanding Memory Estimates in Output Files	0	34	April 9, 2025
Problem with calculating and printing orbital moment	3	41	April 7, 2025
Error message: Found token: `YPAT` in the input file	2	51	March 12, 2025
Is there a way to split dense k-grid calculations? parallelism	1	50	February 12, 2025
How to calculate Nonlinear Static Properties without multidataset mode as suggested in the tutorial and How to use parallelization for Nonlinear Optical Property Calculation parallelism	4	35	January 31, 2025
Siliciumdioxide - No convergence	6	66	January 22, 2025
Flexoelectric coefficients of Strontium Titanante	3	55	January 16, 2025
Trouble achieving GS convergence with tolvrs	1	52	January 14, 2025
Pseudopotential	2	75	January 4, 2025
Customized fatbands_mview	0	28	December 6, 2024
Total magnetization goes to saturation value for a small spinat	2	38	November 22, 2024