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From AdministratorTaisuke Ozaki05072021/04/07 21:20
by Taisuke Ozaki
Hubbard UMehdi Vejdanihemmat2142022/05/18 16:12
by Mehdi Vejdanihemmat
overlap between k1 and k2Wei Li20862022/05/16 15:48
by Naoya Yamaguchi
Segmentation fault in NEB calculationsLovleen Kaur3202022/05/13 19:17
by Naoya Yamaguchi
Bandgap issueWei Li3582022/05/08 20:23
by Naoya Yamaguchi
Overlap matrix between different group of atomsWei Li292062022/05/05 21:10
by Dongyu Liu
Bandgap underestimation problem-bulk TeMaedeh2432022/04/30 00:24
by Maedeh
Unfolded band structure spectral weightsArtem Pi0332022/04/29 02:32
by Artem Pi
Error in the LDA+U settingKieran1352022/04/27 12:16
by Naoya Yamaguchi
H and S at specific KpointWei Li2722022/04/20 21:05
by Wei Li
MacOS installation error, OpenMX-3.9Thomas Auckland61092022/04/20 20:16
by Takeru Nakashima
Van der Waals scf force converge problemAlbert 0402022/04/15 15:23
by Albert
OpenMX 3.9 installation errorS. Matsushima71342022/04/14 22:12
by S. Matsushima
PDOS calculation with Spin-orbit Coupling Michele Amato1842022/04/08 20:18
by Naoya Yamaguchi
Interface with Wannier90Wiwik0582022/04/06 13:46
by Wiwik
WSL installation error of OpenMX3.9Lingzhi Zhang2872022/04/06 11:01
by Lingzhi Zhang
Kerker factorMehdi Vejdanihemmat2582022/04/03 00:54
by Mehdi Vejdanihemmat
problem in DOS calculationmaedeh1972022/04/02 21:07
by Mehdi Vejdanihemmat
Format of HS.out FileKieran141652022/04/01 12:26
by Naoya Yamaguchi
overlap and Hamiltonian matrix elements in the MLWF basisWei Li1542022/04/01 12:20
by Naoya Yamaguchi
Check symmetry breaking under influence of SOI and/or electric chargeBagus2742022/03/27 22:15
by Bagus
HOMO_LUMO keywords for periodic systems Lina Bechohra0522022/03/22 19:48
by Lina Bechohra
HOMO_LUMO_visualization_XcrysdenLina Bechohra0682022/03/22 18:32
by Lina Bechohra
Problem contains processor column with zero widthWei Li2632022/03/20 03:46
by Wei Li
non collinear variable cell relaxation Gurung0562022/03/04 15:41
by Gurung
NEGF setupGurung0562022/03/04 02:14
by Gurung
Error code in running GGA-PBE+UVipin Kumar1802022/03/01 12:48
by Naoya Yamaguchi
Parameters for running large systemsMChen42262022/02/28 14:09
by Gurung
Format of <seedname>.Band File and Spin Texture CalculationKieran212502022/02/26 13:23
by Naoya Yamaguchi
non collinear calculations in openmxGurung3922022/02/26 12:34
by Gurung
About the dipole moment in SrTiO3Gurung2802022/02/24 01:10
by Gurung
Incorrect Bloch phase factor?Malone3962022/02/22 09:01
by Malone
kSpin gives incorrect eigenvaluesShunsuke Yoshizawa2792022/02/18 19:14
by Shunsuke Yoshizawa
Segmentation fault (core dumped)Vipin Kumar0762022/02/17 19:30
by Vipin Kumar
Problem with unfolding the band structure of 9x9 supercellArtem Tarasov3962022/02/14 18:38
by Naoya Yamaguchi
spin orbit interaction Ali1992022/02/10 05:52
by Ali
optimization problem for amorphous SiO2 greenishfu0782022/02/08 01:47
by greenishfu
band structurereza majidinia0982022/02/04 16:47
by reza majidinia
scf.EigenvalueSolver tag in input filePavel Chirkov1752022/01/30 17:28
by Naoya Yamaguchi
OPENMX 3.9 : Error Installation Arif Lukmantoro21632022/01/26 17:48
by Arif Lukmantoro
How to reduce memory usage for very large systems?Chong Wang41312022/01/25 12:29
by Naoya Yamaguchi
Problems in structure optimization of a slab systemHiroaki Tanaka31032022/01/21 12:37
by Hiroaki Tanaka
too short distance between atoms warningJack71162022/01/20 19:34
by Naoya Yamaguchi
Delta FactorVejdani21042022/01/18 06:44
by Mehdi Vejdanihemmat
NEGF: transmission, conductance and currentAnshu Gaur01082022/01/17 14:59
by Anshu Gaur
Geometry optimization and MD calculationsJohn01012022/01/16 19:57
by John
Slow DM step with OpenMP parallelizationPavel Ondracka41022022/01/14 18:51
by Naoya Yamaguchi
memory increasing as MD steps increase and the version issue on itKunihiro Yananose53952022/01/11 16:19
by Kunihiro Yananose
OpenMX 3.9 installationMohammad41312022/01/10 03:22
by Mohammad
Could not find ../DFT_DATA19/VPS/Gd_PBE19.vpsKylin31092022/01/09 00:42
by Naoya Yamaguchi

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