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List of Threads Topics Author Replies Views Last Modified From Administrator Taisuke Ozaki 0 1107 2021/04/07 21:20 by Taisuke Ozaki Struggling in performing automating running test. Maria 2 32 2024/04/15 19:28 by Maria could read old density matrix data and continue scf as the DM.UseSaveDM inside siesta? berlin 1 36 2024/04/11 19:47 by Yung-Ting Lee The meaning of overlap matrix position/momentum operator Liang Liu 0 20 2024/04/11 18:16 by Liang Liu Energy vs Lattice constant: .EvsLC file not generating Vipin Kumar 2 28 2024/04/10 19:51 by Vipin Kumar Non convergence in SOC and PBE+U calculation Tong Zhao 2 71 2024/04/08 23:03 by Tong Zhao inconsistent OpenMX and VASP band structures Eric 0 49 2024/04/05 22:13 by Eric Error in constraining method xi 0 33 2024/04/03 02:18 by xi Physical meaning of positive and negative net charge Vipin Kumar 5 53 2024/04/01 13:16 by Vipin Kumar installation problem of OpenMX3.9 and patch3.9.9 in Ubuntu 22.04 Koudzo 10 63 2024/03/29 21:22 by Hiroyuki Kawai Error in running openmx Jays 1 50 2024/03/29 12:16 by Jays Error in undefined reference to `ompi_mpi_comm_null' Jaysen Brian S. 2 44 2024/03/29 10:41 by Jaysen Brian S. electron-hole Columb matrix Eric 0 25 2024/03/27 10:43 by Eric The problem of using second-order perturbation method to calculate magnetic anisotropy performance jack 0 35 2024/03/20 18:00 by jack Dynamical Matrix for the Thermal Property Kieran 6 109 2024/02/20 00:49 by Kieran Can someone in London UK install OpenMX on my MacBookPro? Luca Turin 0 62 2024/02/05 23:51 by Luca Turin NEGF Example Error  in step 1 jangwonjin 1 65 2024/02/03 15:16 by Naoya Yamaguchi About the imaginary part of the optical conductivity Ye Zhang 4 130 2024/02/01 01:49 by Ye Zhang UBUNTU 22.04.3 LTS openmx 3.9 install issue AHN JINWOO 6 209 2024/01/25 20:43 by Naoya Yamaguchi error in visualize the STM image by WSxM 4.0 Beta 9.3 and WSxM 5.0 Develop 10.2 zeinab.mrd 4 554 2024/01/18 22:07 by wkq installation problem in Ubuntu lee 1 88 2024/01/15 14:36 by lee install problems Ir 3 106 2024/01/04 01:56 by Naoya Yamaguchi Error in NEGF lead calculation P. Li 0 81 2023/12/20 17:50 by P. Li Calculating exchange coupling using Jx YaoShunWei 0 97 2023/12/16 21:05 by YaoShunWei About charge doping YSW 0 77 2023/12/14 19:33 by YSW question geometry optimization doped silicon Marc 0 87 2023/12/11 19:34 by Marc How to constrain the z axis ? YaoShunWei 2 102 2023/12/11 00:33 by YaoShunWei Zeeman effect in openmx LINGZHI ZHANG 0 83 2023/12/08 15:59 by LINGZHI ZHANG Problem with geometry optimization Lim 3 143 2023/11/26 01:16 by Lim ERROR: PAOs of atoms of L|C|R can overlap only to the next nearest region. Tom 0 89 2023/11/21 14:32 by Tom convergent problem during optimization with applying electric field Tao 0 88 2023/11/20 16:58 by Tao the orbital format in the HS.out file(the basis of KS element in matrix) LinTzuChing 4 101 2023/11/19 13:10 by LinTzuChing About doping and electric field Budi 0 85 2023/11/16 17:41 by Budi How to obtain PAO files generated with LDA. Hongwei Wang 0 89 2023/11/14 23:10 by Hongwei Wang Smaller magnetic moments compared to VASP Riyajul Islam 0 108 2023/11/09 18:19 by Riyajul Islam preparation of jx.config from scratch Riyajul Islam 2 124 2023/11/09 17:58 by Riyajul Islam (FIXED) ERROR, key=geoopt.restart value=logical kylin 2 125 2023/11/09 11:09 by T. Ozaki OpenMX build failed in AMD 7950x Ubuntu 22.04 with linking AMD aocl-gcc chrinide 1 115 2023/11/05 14:24 by Naoya Yamaguchi Charged Defects Formation Energy Correction Marc Tunica 2 164 2023/11/02 21:54 by Marc 2D line curve of Berry Curvature along k path in FBZ Arifia Pratiwi N. 6 168 2023/11/03 01:24 by Arifia Pratiwi N. How to compile OpenMX on Cray programming Environment Peter 3 130 2023/10/30 21:54 by T. Ozaki Different Electric Polarization Ella 10 301 2023/10/30 21:21 by Naoya Yamaguchi Error: Incorrect atoms position in the restart dat file kylin 1 139 2023/10/27 13:39 by T. Ozaki Pseudopotential Gd  Missing Zuxin Fu 1 142 2023/10/27 12:05 by T. Ozaki MD.TempControl question Pavel Ondracka 1 132 2023/10/27 12:02 by T. Ozaki Metallic nanotube Amina 2 171 2023/10/15 01:46 by Amina projected density of states maedeh 1 138 2023/10/12 01:01 by Yung-Ting Lee The 4th OpenMX developer's meeting T. Ozaki 0 202 2023/10/11 21:36 by T. Ozaki error in band unfolding of 2D Roozbeh Anvari 3 201 2023/10/06 12:58 by Naoya Yamaguchi Nanotube_Band structure_DOS Amina 0 127 2023/10/04 15:48 by Amina

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