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	323	July 10, 2021
About the Ground state category	0	382	January 10, 2021
Tag for dipole correction in monolayers testing	0	1	February 3, 2026
Runtime error when using PAW: m_pawrhoij=>NetCDF: Name contains illegal characters	1	16	February 2, 2026
TiO2 hybrid functionals parallelism hybrid-functionals , parallelism	1	12	January 15, 2026
How to Perform Nudge Elastic Bands calculation	3	52	January 6, 2026
Dynamical matrix with LO-TO splitting	3	96	January 6, 2026
STM charge density	2	56	November 28, 2025
Looking Error Message Explanation and guidances	1	48	November 28, 2025
Pulay stress and pressure_GPa	0	39	November 7, 2025
Relaxation with Symmetry Preserved	1	69	November 5, 2025
Spin-Orbit matrix elements testing	2	83	October 28, 2025
Dynamical matrix and phonon frequency	2	83	October 13, 2025
WS mesh error message	1	60	August 28, 2025
Perform phonon calculations	4	93	July 22, 2025
Incorrect space group symmetry of impure TiO2 lattice	2	101	June 19, 2025
Constrained DFT - Difficulty Finding Fermi Energy testing	1	83	June 19, 2025
Dos calculation	6	243	June 9, 2025
Efficiency of calculating large supercells	4	172	May 21, 2025
Band structure calculation using SOC testing	3	137	May 6, 2025
Number of electron in the valence band	2	80	April 29, 2025
Input file for TB-mBJ correction	1	68	April 29, 2025
Comparison between collinear and non-collinear ferromagnetic magnetization using constrained	5	138	April 10, 2025
Understanding Memory Estimates in Output Files	0	61	April 9, 2025
Problem with calculating and printing orbital moment	3	87	April 7, 2025
Error message: Found token: `YPAT` in the input file	2	86	March 12, 2025
Is there a way to split dense k-grid calculations? parallelism	1	84	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	91	January 31, 2025
Siliciumdioxide - No convergence	6	139	January 22, 2025
Flexoelectric coefficients of Strontium Titanante	3	112	January 16, 2025