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Topics Author Replies Views Last Modified
HOMO_LUMO_visualization_XcrysdenLina Bechohra18532022/06/16 12:46
by T. Ozaki
HOMO_LUMO keywords for periodic systems Lina Bechohra16922022/06/16 12:44
by T. Ozaki
Interface with Wannier90Wiwik19702022/06/16 12:42
by T. Ozaki
Van der Waals scf force converge problemAlbert 18372022/06/16 11:49
by T. Ozaki
Unfolded band structure spectral weightsArtem Pi18202022/06/16 10:16
by T. Ozaki
Building OpenMX latest with IntelGrigory Shamov16782022/06/16 10:04
by T. Ozaki
formation energy of Si diamond is not consistent with VASPIK110062022/06/16 09:59
by T. Ozaki
Relationship between the data in the PAO file and the orbital specified in OpenMXIK16812022/06/16 09:47
by T. Ozaki
Hubbard UMehdi Vejdanihemmat28672022/05/18 16:12
by Mehdi Vejdanihemmat
overlap between k1 and k2Wei Li2010132022/05/16 15:48
by Naoya Yamaguchi
Segmentation fault in NEB calculationsLovleen Kaur36772022/05/13 19:17
by Naoya Yamaguchi
Bandgap issueWei Li39022022/05/08 20:23
by Naoya Yamaguchi
Overlap matrix between different group of atomsWei Li2915502022/05/05 21:10
by Dongyu Liu
Bandgap underestimation problem-bulk TeMaedeh28472022/04/30 00:24
by Maedeh
Error in the LDA+U settingKieran110382022/04/27 12:16
by Naoya Yamaguchi
H and S at specific KpointWei Li27132022/04/20 21:05
by Wei Li
MacOS installation error, OpenMX-3.9Thomas Auckland614612022/04/20 20:16
by Takeru Nakashima
OpenMX 3.9 installation errorS. Matsushima713652022/04/14 22:12
by S. Matsushima
PDOS calculation with Spin-orbit Coupling Michele Amato110432022/04/08 20:18
by Naoya Yamaguchi
WSL installation error of OpenMX3.9Lingzhi Zhang211242022/04/06 11:01
by Lingzhi Zhang
Kerker factorMehdi Vejdanihemmat26922022/04/03 00:54
by Mehdi Vejdanihemmat
problem in DOS calculationmaedeh17012022/04/02 21:07
by Mehdi Vejdanihemmat
overlap and Hamiltonian matrix elements in the MLWF basisWei Li17232022/04/01 12:20
by Naoya Yamaguchi
Check symmetry breaking under influence of SOI and/or electric chargeBagus29252022/03/27 22:15
by Bagus
Problem contains processor column with zero widthWei Li26762022/03/20 03:46
by Wei Li
non collinear variable cell relaxation Gurung06202022/03/04 15:41
by Gurung
Error code in running GGA-PBE+UVipin Kumar17992022/03/01 12:48
by Naoya Yamaguchi
Parameters for running large systemsMChen49362022/02/28 14:09
by Gurung
Format of <seedname>.Band File and Spin Texture CalculationKieran2113882022/02/26 13:23
by Naoya Yamaguchi
non collinear calculations in openmxGurung37452022/02/26 12:34
by Gurung
About the dipole moment in SrTiO3Gurung28802022/02/24 01:10
by Gurung
Incorrect Bloch phase factor?Malone38032022/02/22 09:01
by Malone
kSpin gives incorrect eigenvaluesShunsuke Yoshizawa27332022/02/18 19:14
by Shunsuke Yoshizawa
Segmentation fault (core dumped)Vipin Kumar09152022/02/17 19:30
by Vipin Kumar
Problem with unfolding the band structure of 9x9 supercellArtem Tarasov38672022/02/14 18:38
by Naoya Yamaguchi
spin orbit interaction Ali17162022/02/10 05:52
by Ali
optimization problem for amorphous SiO2 greenishfu06902022/02/08 01:47
by greenishfu
band structurereza majidinia06922022/02/04 16:47
by reza majidinia
scf.EigenvalueSolver tag in input filePavel Chirkov18332022/01/30 17:28
by Naoya Yamaguchi
OPENMX 3.9 : Error Installation Arif Lukmantoro210072022/01/26 17:48
by Arif Lukmantoro
How to reduce memory usage for very large systems?Chong Wang410132022/01/25 12:29
by Naoya Yamaguchi
Problems in structure optimization of a slab systemHiroaki Tanaka37852022/01/21 12:37
by Hiroaki Tanaka
too short distance between atoms warningJack79062022/01/20 19:34
by Naoya Yamaguchi
Delta FactorVejdani27132022/01/18 06:44
by Mehdi Vejdanihemmat
NEGF: transmission, conductance and currentAnshu Gaur07812022/01/17 14:59
by Anshu Gaur
Geometry optimization and MD calculationsJohn07252022/01/16 19:57
by John
Slow DM step with OpenMP parallelizationPavel Ondracka47302022/01/14 18:51
by Naoya Yamaguchi
memory increasing as MD steps increase and the version issue on itKunihiro Yananose513622022/01/11 16:19
by Kunihiro Yananose
OpenMX 3.9 installationMohammad49242022/01/10 03:22
by Mohammad
Could not find ../DFT_DATA19/VPS/Gd_PBE19.vpsKylin39042022/01/09 00:42
by Naoya Yamaguchi

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