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List of Threads Topics Author Replies Views Last Modified From Administrator Taisuke Ozaki 0 5569 2005/01/09 05:33 by Taisuke Ozaki orbital contributions of exchange coupling parameters Bin Shao 0 3 2019/06/26 15:00 by Bin Shao Elastic Constant of Cu - 6.0Hs3p3d3 C. Pashartis 2 49 2019/06/21 20:14 by C. Pashartis NEB output file Reza 0 18 2019/06/21 15:49 by Reza The problem difference charge density Alisa 4 38 2019/06/17 14:41 by Naoya Yamaguchi Re: Installation of openmx in ubuntu deniz 4 37 2019/06/16 02:52 by Naoya Yamaguchi Error in installation M.S 3 421 2019/06/15 06:44 by deniz Hamiltonian matrix file Maedeh 5 217 2019/06/08 05:12 by Maedeh Questions about functionals Aleksey 0 46 2019/06/06 20:57 by Aleksey Some Suggestions about new version Reza 1 133 2019/05/30 05:57 by Po-Hao Chang Installation of OpenMX in IUAC cluster server Vicky 14 129 2019/05/30 02:54 by Naoya Yamaguchi Cell optimization with Krylov subspace method Pavel Ondračka 0 42 2019/05/28 20:18 by Pavel Ondračka GGA+U reza 0 57 2019/05/23 18:45 by reza convergence for ESM calculation with on4 in HfO2 Z Jiang 0 59 2019/05/18 06:40 by Z Jiang Zeeman term in the OpenMx is not working! Santu Baidya 3 75 2019/05/15 11:23 by Santu Baidya Memory Consumption Reza 3 79 2019/05/03 02:42 by Reza Vdw-d3(bj) for 'band' calculation Nikolai 2 105 2019/04/08 15:25 by Nikolai SCFOUT Error - Hamiltonian incorrectly saved for MD.Type Opt J. Chapman 11 130 2019/04/04 01:29 by J. Chapman The problem of RF constrained optimization with patch 3.8.4 and 3.8.5 Alisa 4 103 2019/03/27 00:40 by Naoya Yamaguchi installation error Haider Abbas 5 126 2019/03/15 05:12 by Naoya Yamaguchi Error occurs when NEB calculation runs with DFT-D3 Kunihiro Yananose 2 144 2019/03/05 13:57 by Kunihiro Yananose Graphene Band Calculations Lovleen Kaur 5 331 2019/02/09 03:21 by Naoya Yamaguchi How to apply periodic boundary conditions sanjeev 4 174 2019/02/08 23:03 by Kylin JRCAT 244p and JAIST 2122p J. Chapman 1 223 2019/01/29 19:15 by Naoya Yamaguchi How to normalize charge density calculated from HOMO-LUMO Eike F. Schwier 2 131 2019/01/24 14:39 by Eike F. Schwier NEGF for a thin film Sachin 0 162 2018/12/26 23:49 by Sachin negf optimization math 0 128 2018/12/26 18:25 by math Anomalies in bandstructure of NdAlO3 Aleksey 1 204 2018/12/18 08:46 by Aleksey Controlling SOC strength jhong 6 290 2018/11/27 15:09 by jhong The output file is not updated xuemei 0 131 2018/11/26 10:38 by xuemei The problems of constrained optimization with EF xm 4 229 2018/11/20 23:23 by xm The problem about NEGF calculation Weiqi Li 4 258 2018/11/08 17:03 by Weiqi Li PAO question Weiqi Li 1 209 2018/11/07 18:22 by Weiqi Li projected direction in pdos Maedeh 0 171 2018/10/18 02:20 by Maedeh transition probability calculation for metal cluster (rare metal) Manabu Inukai 2 189 2018/10/17 14:48 by Manabu Inukai Electric field perpendicular to 2D materials sabike 1 283 2018/10/13 00:54 by Po-Hao convergence of optimization sabike 2 267 2018/10/11 23:07 by sabike How to calculate charge density and deformation charge density with openmx xm 0 213 2018/10/11 09:17 by xm compilation error: openmx 3.8 Renato 11 456 2018/10/11 02:35 by Renato planar-averaged electrostatic potential Po-Hao 15 585 2019/06/22 23:55 by asvape Transport direction in 2D slab NEGF calculation ZHOU Jiaqi 0 240 2018/09/28 14:59 by ZHOU Jiaqi transport direction for thin film Prashant 4 473 2018/09/14 12:57 by Prashant Vacancy study with OpenMx Samuel Dechamps 1 269 2018/09/13 13:00 by Naoya Yamaguchi Patches to apply to build OpenMX with clang Yuri 0 226 2018/09/11 11:19 by Yuri NEGF vs Surface Green's function calculation Eike F. Schwier 0 264 2018/09/06 12:44 by Eike F. Schwier A question on vdW parameter ‘DFTD.IntDirection' ZHOU Jiaqi 1 215 2018/08/30 22:16 by T. Ozaki errors in Indium PAO file? Tomonori Tanaka 2 285 2018/08/15 07:27 by Tomonori Tanaka OpenMX Exchange coupling parameter: J per each orbital J.S.Feng 2 426 2018/08/14 12:02 by Hongkee Yoon NEGF with gate voltage for molecular junctions Dongzhe Li 1 304 2018/08/07 17:33 by T. Ozaki Fermi level dependence on basis set Dechamps Samuel 3 324 2018/08/07 17:18 by T. Ozaki

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