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List of Threads Topics Author Replies Views Last Modified From Administrator Taisuke Ozaki 0 1628 2021/04/07 21:20 by Taisuke Ozaki Monotony error on Output during OpenMX Molecular Dynamics calculation Bin Shao 1 72 2025/08/26 22:30 by Kazume NISHIDATE Energy decomposition from nonlocal pseudopotential part Jiang Wang 3 61 2025/08/26 21:44 by Kazume NISHIDATE the DFT+U and the SOC formalism Kazume NISHIDATE 4 78 2025/08/21 19:18 by Kazume NISHIDATE patch3.9.9 is corrupted Md Abdul Muntakim 1 99 2025/08/19 13:58 by Kazume NISHIDATE Questions on <Unfolding.Map> and Compiler Compatibility Feedback Maedeh 2 105 2025/08/02 01:40 by Maedeh Total charge of an anion is different from ideal Hiroki Akutsu 2 114 2025/08/09 11:55 by Hiroki Akutsu Specifications of OpenMX Viewer Kinoshita 4 115 2025/07/31 18:21 by Kinoshita About intraband transition in optical conductivity Yu Zhou 2 103 2025/07/30 23:48 by Yung-Ting Lee The files dropped into OpenMX Viewer Kinoshita 2 100 2025/07/31 09:27 by Kinoshita Procedure to contribute to OpenMX source code jekk 0 87 2025/07/30 03:20 by jekk The impact of different basis sets on Jij (jx-code) shiyc 0 93 2025/07/29 16:06 by shiyc Atomic resolved band energy and atomic resolved magnetic anisotropy FePt  Xubo Liu 1 118 2025/07/29 02:23 by Xubo Liu BgG Krzysztof 0 83 2025/07/28 20:24 by Krzysztof Optical Conductivity with SOC Xueheng Kuang 1 104 2025/07/24 13:46 by Yung-Ting Lee OpenMX4 Kelvin A 3 712 2025/07/05 13:57 by W. X. Ji Unconventional absorption energy obtained dena 2 226 2025/07/01 19:04 by dena Assignment orbital number and dirrection in a PDOS output. TAKUMA TAKEDA 0 90 2025/07/01 15:20 by TAKUMA TAKEDA My process was killed when I investigate YIG with 160 atoms LZQ 1 137 2025/06/26 23:48 by Aleksey How are the settings of dftd? dena 0 134 2025/06/10 22:48 by dena How are the settings of dftd? dena 1 249 2025/06/02 21:11 by dena Convergence Behavior of Spin Moments in Noncollinear Magnetic Order. ~ energycutoff and Kgrid ~ Soichiro Kikuchi 0 226 2025/06/02 16:52 by Soichiro Kikuchi Build openmx-3.962 with AOCC compiler error hlajungo 3 333 2025/05/04 17:00 by kylin Total energy reported in  the end  file dina 0 235 2025/04/18 18:45 by dina Total energy reported dina 0 220 2025/04/18 18:36 by dina Different cutoff radius for each basis function Daniel Pozsar 0 287 2025/04/15 00:04 by Daniel Pozsar Electric filed in Heterostructure Slab Md Aktar Hossain 0 224 2025/04/05 15:48 by Md Aktar Hossain Error with the NEGF Calculation Kieran 0 241 2025/04/05 12:35 by Kieran Errors about the the integration range and the atom coordinates Kieran 0 226 2025/04/03 00:03 by Kieran Error occurs when running scf Tieyuan Bian 2 251 2025/04/02 18:42 by Naoya Yamaguchi Core-Hole Pseudo Cu 2p Luca Sementa 0 233 2025/03/25 01:59 by Luca Sementa How to compute the retarded green function with the non-orthogonal-basis Hamiltonian Kieran 1 276 2025/03/11 22:13 by T. Ozaki OpenMX installation (library in cluster machine) Amal 8 291 2025/03/03 19:39 by Amal Install openMX3.9 on Ubuntu24 Roya 1 278 2025/03/03 13:54 by Naoya Yamaguchi How to use BoltzTrap2 interface with OpenMx Dr Santu 1 296 2025/02/28 19:44 by Masanobu Miyata Help with Spin-Resolved Band Structure in Non-Collinear Case Md Aktar Hossain 1 252 2025/02/27 21:54 by Naoya Yamaguchi order on oprbitals in the density matrix Lokamani 1 241 2025/02/18 13:54 by Lokamani Problem with Pseudopotential Creation for F Atom containing 1s orbital in ADPACK Enomoto 4 279 2025/02/10 08:58 by Enomoto How to use Mulliken charging data? dena 2 262 2025/02/09 02:14 by dena Glycine optimization dena 8 318 2025/02/07 14:44 by dena Calculation of XPS absolute BE on surface slab Harry 4 315 2025/02/06 17:58 by Harry Problem in optimizing the absorption atefeh 8 324 2025/02/03 16:48 by atefeh How to use?&#1563;Automatic determination of the cell size&#1563; dena 2 250 2025/02/03 15:39 by dena Clarification on PAO Basis Suffixes, Range of Basis Set Choices, and Recommendations for Magnetic Ex shiyc 1 318 2025/01/30 21:39 by T. Ozaki Unreasonable exchange coupling parameters (Jij) for bcc Fe with increasing Kgrids obtained by jx Guangzong Xing 2 304 2025/01/30 21:27 by T. Ozaki Setting time period in Nose-Hoover thermostat method during MD Vipin Kumar 1 218 2025/01/30 21:24 by T. Ozaki Openmx3.9 installation error with intel oneapi 2025 version SANTU BAIDYA 2 361 2025/01/30 15:05 by SANTU BAIDYA Problem in installation openmx 3.9 EOM HUIYONG 2 307 2025/01/29 20:04 by SANTU BAIDYA MPI problem Md Aktar Hossain 7 409 2025/01/23 17:34 by Md Aktar Hossain Can calculations in OpenMX be performed in the water phase? atefeh 0 193 2025/01/19 05:01 by atefeh

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