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Topics Author Replies Views Last Modified
HOMO_LUMO keywords for periodic systems Lina Bechohra16532022/06/16 12:44
by T. Ozaki
Interface with Wannier90Wiwik19052022/06/16 12:42
by T. Ozaki
Van der Waals scf force converge problemAlbert 17982022/06/16 11:49
by T. Ozaki
Unfolded band structure spectral weightsArtem Pi17822022/06/16 10:16
by T. Ozaki
Building OpenMX latest with IntelGrigory Shamov16372022/06/16 10:04
by T. Ozaki
formation energy of Si diamond is not consistent with VASPIK19622022/06/16 09:59
by T. Ozaki
Relationship between the data in the PAO file and the orbital specified in OpenMXIK16402022/06/16 09:47
by T. Ozaki
Hubbard UMehdi Vejdanihemmat28162022/05/18 16:12
by Mehdi Vejdanihemmat
overlap between k1 and k2Wei Li209472022/05/16 15:48
by Naoya Yamaguchi
Segmentation fault in NEB calculationsLovleen Kaur36432022/05/13 19:17
by Naoya Yamaguchi
Bandgap issueWei Li38612022/05/08 20:23
by Naoya Yamaguchi
Overlap matrix between different group of atomsWei Li2914662022/05/05 21:10
by Dongyu Liu
Bandgap underestimation problem-bulk TeMaedeh27962022/04/30 00:24
by Maedeh
Error in the LDA+U settingKieran19942022/04/27 12:16
by Naoya Yamaguchi
H and S at specific KpointWei Li26732022/04/20 21:05
by Wei Li
MacOS installation error, OpenMX-3.9Thomas Auckland613692022/04/20 20:16
by Takeru Nakashima
OpenMX 3.9 installation errorS. Matsushima713122022/04/14 22:12
by S. Matsushima
PDOS calculation with Spin-orbit Coupling Michele Amato19922022/04/08 20:18
by Naoya Yamaguchi
WSL installation error of OpenMX3.9Lingzhi Zhang210782022/04/06 11:01
by Lingzhi Zhang
Kerker factorMehdi Vejdanihemmat26562022/04/03 00:54
by Mehdi Vejdanihemmat
problem in DOS calculationmaedeh16712022/04/02 21:07
by Mehdi Vejdanihemmat
overlap and Hamiltonian matrix elements in the MLWF basisWei Li16842022/04/01 12:20
by Naoya Yamaguchi
Check symmetry breaking under influence of SOI and/or electric chargeBagus28882022/03/27 22:15
by Bagus
Problem contains processor column with zero widthWei Li26412022/03/20 03:46
by Wei Li
non collinear variable cell relaxation Gurung05842022/03/04 15:41
by Gurung
Error code in running GGA-PBE+UVipin Kumar17562022/03/01 12:48
by Naoya Yamaguchi
Parameters for running large systemsMChen48862022/02/28 14:09
by Gurung
Format of <seedname>.Band File and Spin Texture CalculationKieran2113292022/02/26 13:23
by Naoya Yamaguchi
non collinear calculations in openmxGurung37022022/02/26 12:34
by Gurung
About the dipole moment in SrTiO3Gurung28422022/02/24 01:10
by Gurung
Incorrect Bloch phase factor?Malone37622022/02/22 09:01
by Malone
kSpin gives incorrect eigenvaluesShunsuke Yoshizawa26832022/02/18 19:14
by Shunsuke Yoshizawa
Segmentation fault (core dumped)Vipin Kumar08702022/02/17 19:30
by Vipin Kumar
Problem with unfolding the band structure of 9x9 supercellArtem Tarasov38252022/02/14 18:38
by Naoya Yamaguchi
spin orbit interaction Ali16792022/02/10 05:52
by Ali
optimization problem for amorphous SiO2 greenishfu06602022/02/08 01:47
by greenishfu
band structurereza majidinia06622022/02/04 16:47
by reza majidinia
scf.EigenvalueSolver tag in input filePavel Chirkov17992022/01/30 17:28
by Naoya Yamaguchi
OPENMX 3.9 : Error Installation Arif Lukmantoro29632022/01/26 17:48
by Arif Lukmantoro
How to reduce memory usage for very large systems?Chong Wang49702022/01/25 12:29
by Naoya Yamaguchi
Problems in structure optimization of a slab systemHiroaki Tanaka37442022/01/21 12:37
by Hiroaki Tanaka
too short distance between atoms warningJack78702022/01/20 19:34
by Naoya Yamaguchi
Delta FactorVejdani26792022/01/18 06:44
by Mehdi Vejdanihemmat
NEGF: transmission, conductance and currentAnshu Gaur07432022/01/17 14:59
by Anshu Gaur
Geometry optimization and MD calculationsJohn06882022/01/16 19:57
by John
Slow DM step with OpenMP parallelizationPavel Ondracka46842022/01/14 18:51
by Naoya Yamaguchi
memory increasing as MD steps increase and the version issue on itKunihiro Yananose513132022/01/11 16:19
by Kunihiro Yananose
OpenMX 3.9 installationMohammad48772022/01/10 03:22
by Mohammad
Could not find ../DFT_DATA19/VPS/Gd_PBE19.vpsKylin38562022/01/09 00:42
by Naoya Yamaguchi
the band structure of 4H-SiCQi Wang58732022/01/08 02:12
by Naoya Yamaguchi

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