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List of Threads Topics Author Replies Views Last Modified From Administrator Taisuke Ozaki 0 507 2021/04/07 21:20 by Taisuke Ozaki Hubbard U Mehdi Vejdanihemmat 2 14 2022/05/18 16:12 by Mehdi Vejdanihemmat overlap between k1 and k2 Wei Li 20 86 2022/05/16 15:48 by Naoya Yamaguchi Segmentation fault in NEB calculations Lovleen Kaur 3 20 2022/05/13 19:17 by Naoya Yamaguchi Bandgap issue Wei Li 3 58 2022/05/08 20:23 by Naoya Yamaguchi Overlap matrix between different group of atoms Wei Li 29 206 2022/05/05 21:10 by Dongyu Liu Bandgap underestimation problem-bulk Te Maedeh 2 43 2022/04/30 00:24 by Maedeh Unfolded band structure spectral weights Artem Pi 0 33 2022/04/29 02:32 by Artem Pi Error in the LDA+U setting Kieran 1 35 2022/04/27 12:16 by Naoya Yamaguchi H and S at specific Kpoint Wei Li 2 72 2022/04/20 21:05 by Wei Li MacOS installation error, OpenMX-3.9 Thomas Auckland 6 109 2022/04/20 20:16 by Takeru Nakashima Van der Waals scf force converge problem Albert 0 40 2022/04/15 15:23 by Albert OpenMX 3.9 installation error S. Matsushima 7 134 2022/04/14 22:12 by S. Matsushima PDOS calculation with Spin-orbit Coupling Michele Amato 1 84 2022/04/08 20:18 by Naoya Yamaguchi Interface with Wannier90 Wiwik 0 58 2022/04/06 13:46 by Wiwik WSL installation error of OpenMX3.9 Lingzhi Zhang 2 87 2022/04/06 11:01 by Lingzhi Zhang Kerker factor Mehdi Vejdanihemmat 2 58 2022/04/03 00:54 by Mehdi Vejdanihemmat problem in DOS calculation maedeh 1 97 2022/04/02 21:07 by Mehdi Vejdanihemmat Format of HS.out File Kieran 14 165 2022/04/01 12:26 by Naoya Yamaguchi overlap and Hamiltonian matrix elements in the MLWF basis Wei Li 1 54 2022/04/01 12:20 by Naoya Yamaguchi Check symmetry breaking under influence of SOI and/or electric charge Bagus 2 74 2022/03/27 22:15 by Bagus HOMO_LUMO keywords for periodic systems Lina Bechohra 0 52 2022/03/22 19:48 by Lina Bechohra HOMO_LUMO_visualization_Xcrysden Lina Bechohra 0 68 2022/03/22 18:32 by Lina Bechohra Problem contains processor column with zero width Wei Li 2 63 2022/03/20 03:46 by Wei Li non collinear variable cell relaxation Gurung 0 56 2022/03/04 15:41 by Gurung NEGF setup Gurung 0 56 2022/03/04 02:14 by Gurung Error code in running GGA-PBE+U Vipin Kumar 1 80 2022/03/01 12:48 by Naoya Yamaguchi Parameters for running large systems MChen 4 226 2022/02/28 14:09 by Gurung Format of <seedname>.Band File and Spin Texture Calculation Kieran 21 250 2022/02/26 13:23 by Naoya Yamaguchi non collinear calculations in openmx Gurung 3 92 2022/02/26 12:34 by Gurung About the dipole moment in SrTiO3 Gurung 2 80 2022/02/24 01:10 by Gurung Incorrect Bloch phase factor? Malone 3 96 2022/02/22 09:01 by Malone kSpin gives incorrect eigenvalues Shunsuke Yoshizawa 2 79 2022/02/18 19:14 by Shunsuke Yoshizawa Segmentation fault (core dumped) Vipin Kumar 0 76 2022/02/17 19:30 by Vipin Kumar Problem with unfolding the band structure of 9x9 supercell Artem Tarasov 3 96 2022/02/14 18:38 by Naoya Yamaguchi spin orbit interaction Ali 1 99 2022/02/10 05:52 by Ali optimization problem for amorphous SiO2 greenishfu 0 78 2022/02/08 01:47 by greenishfu band structure reza majidinia 0 98 2022/02/04 16:47 by reza majidinia scf.EigenvalueSolver tag in input file Pavel Chirkov 1 75 2022/01/30 17:28 by Naoya Yamaguchi OPENMX 3.9 : Error Installation Arif Lukmantoro 2 163 2022/01/26 17:48 by Arif Lukmantoro How to reduce memory usage for very large systems? Chong Wang 4 131 2022/01/25 12:29 by Naoya Yamaguchi Problems in structure optimization of a slab system Hiroaki Tanaka 3 103 2022/01/21 12:37 by Hiroaki Tanaka too short distance between atoms warning Jack 7 116 2022/01/20 19:34 by Naoya Yamaguchi Delta Factor Vejdani 2 104 2022/01/18 06:44 by Mehdi Vejdanihemmat NEGF: transmission, conductance and current Anshu Gaur 0 108 2022/01/17 14:59 by Anshu Gaur Geometry optimization and MD calculations John 0 101 2022/01/16 19:57 by John Slow DM step with OpenMP parallelization Pavel Ondracka 4 102 2022/01/14 18:51 by Naoya Yamaguchi memory increasing as MD steps increase and the version issue on it Kunihiro Yananose 5 395 2022/01/11 16:19 by Kunihiro Yananose OpenMX 3.9 installation Mohammad 4 131 2022/01/10 03:22 by Mohammad Could not find ../DFT_DATA19/VPS/Gd_PBE19.vps Kylin 3 109 2022/01/09 00:42 by Naoya Yamaguchi

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