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List of Threads Topics Author Replies Views Last Modified The problem of using second-order perturbation method to calculate magnetic anisotropy performance jack 2 254 2024/04/22 12:25 by jack Struggling in performing automating running test. Maria 2 208 2024/04/15 19:28 by Maria The meaning of overlap matrix position/momentum operator Liang Liu 0 208 2024/04/11 18:16 by Liang Liu Energy vs Lattice constant: .EvsLC file not generating Vipin Kumar 2 171 2024/04/10 19:51 by Vipin Kumar Non convergence in SOC and PBE+U calculation Tong Zhao 2 385 2024/04/08 23:03 by Tong Zhao inconsistent OpenMX and VASP band structures Eric 0 270 2024/04/05 22:13 by Eric Physical meaning of positive and negative net charge Vipin Kumar 5 267 2024/04/01 13:16 by Vipin Kumar installation problem of OpenMX3.9 and patch3.9.9 in Ubuntu 22.04 Koudzo 10 420 2024/03/29 21:22 by Hiroyuki Kawai Error in running openmx Jays 1 436 2024/03/29 12:16 by Jays Error in undefined reference to `ompi_mpi_comm_null' Jaysen Brian S. 2 829 2024/03/29 10:41 by Jaysen Brian S. electron-hole Columb matrix Eric 0 157 2024/03/27 10:43 by Eric Dynamical Matrix for the Thermal Property Kieran 6 342 2024/02/20 00:49 by Kieran Can someone in London UK install OpenMX on my MacBookPro? Luca Turin 0 218 2024/02/05 23:51 by Luca Turin NEGF Example Error  in step 1 jangwonjin 1 223 2024/02/03 15:16 by Naoya Yamaguchi About the imaginary part of the optical conductivity Ye Zhang 4 794 2024/02/01 01:49 by Ye Zhang UBUNTU 22.04.3 LTS openmx 3.9 install issue AHN JINWOO 6 1137 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 4 897 2024/01/18 22:07 by wkq installation problem in Ubuntu lee 1 247 2024/01/15 14:36 by lee install problems Ir 3 280 2024/01/04 01:56 by Naoya Yamaguchi Error in NEGF lead calculation P. Li 0 291 2023/12/20 17:50 by P. Li Calculating exchange coupling using Jx YaoShunWei 0 253 2023/12/16 21:05 by YaoShunWei About charge doping YSW 0 218 2023/12/14 19:33 by YSW question geometry optimization doped silicon Marc 0 251 2023/12/11 19:34 by Marc How to constrain the z axis ? YaoShunWei 2 323 2023/12/11 00:33 by YaoShunWei Zeeman effect in openmx LINGZHI ZHANG 0 232 2023/12/08 15:59 by LINGZHI ZHANG Problem with geometry optimization Lim 3 339 2023/11/26 01:16 by Lim ERROR: PAOs of atoms of L|C|R can overlap only to the next nearest region. Tom 0 238 2023/11/21 14:32 by Tom convergent problem during optimization with applying electric field Tao 0 283 2023/11/20 16:58 by Tao the orbital format in the HS.out file(the basis of KS element in matrix) LinTzuChing 4 260 2023/11/19 13:10 by LinTzuChing About doping and electric field Budi 0 227 2023/11/16 17:41 by Budi How to obtain PAO files generated with LDA. Hongwei Wang 0 220 2023/11/14 23:10 by Hongwei Wang Smaller magnetic moments compared to VASP Riyajul Islam 0 370 2023/11/09 18:19 by Riyajul Islam preparation of jx.config from scratch Riyajul Islam 2 362 2023/11/09 17:58 by Riyajul Islam (FIXED) ERROR, key=geoopt.restart value=logical kylin 2 372 2023/11/09 11:09 by T. Ozaki OpenMX build failed in AMD 7950x Ubuntu 22.04 with linking AMD aocl-gcc chrinide 1 301 2023/11/05 14:24 by Naoya Yamaguchi Charged Defects Formation Energy Correction Marc Tunica 2 370 2023/11/02 21:54 by Marc 2D line curve of Berry Curvature along k path in FBZ Arifia Pratiwi N. 6 355 2023/11/03 01:24 by Arifia Pratiwi N. How to compile OpenMX on Cray programming Environment Peter 3 327 2023/10/30 21:54 by T. Ozaki Different Electric Polarization Ella 10 490 2023/10/30 21:21 by Naoya Yamaguchi Error: Incorrect atoms position in the restart dat file kylin 1 295 2023/10/27 13:39 by T. Ozaki Pseudopotential Gd  Missing Zuxin Fu 1 284 2023/10/27 12:05 by T. Ozaki MD.TempControl question Pavel Ondracka 1 282 2023/10/27 12:02 by T. Ozaki Metallic nanotube Amina 2 332 2023/10/15 01:46 by Amina projected density of states maedeh 1 323 2023/10/12 01:01 by Yung-Ting Lee The 4th OpenMX developer's meeting T. Ozaki 0 355 2023/10/11 21:36 by T. Ozaki error in band unfolding of 2D Roozbeh Anvari 3 391 2023/10/06 12:58 by Naoya Yamaguchi Nanotube_Band structure_DOS Amina 0 339 2023/10/04 15:48 by Amina Geometry optimization keeping symmetry H.Ueda 1 512 2023/09/28 21:38 by H.Ueda Convergence issue from kerker_mixing Sam 5 330 2023/09/23 01:37 by Sam Phonon calculations Mehdi Vejdanihemmat 12 827 2023/09/18 16:45 by Arif

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