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List of Threads Topics Author Replies Views Last Modified From Administrator Taisuke Ozaki 0 332 2021/04/07 21:20 by Taisuke Ozaki Gate potential Samuel Dechamps 0 5 2021/12/07 00:23 by Samuel Dechamps Two questions about PDOS calculation of CoO. K.Usami 3 54 2021/12/05 00:21 by K.Usami problem in OpenMX interface with BoltzTraP zeinab moradi 9 324 2021/11/26 10:58 by Masanobu Miyata Openmx - BoltzTrap2 Alejandro Leon 1 41 2021/11/26 10:52 by Masanobu Miyata STM by WSxM Vipin Kumar 4 41 2021/11/22 18:48 by Naoya Yamaguchi Error Message from the Installation of OpenMX Kieran 9 68 2021/11/20 13:49 by Naoya Yamaguchi A trouble with generation of restart file Takuma Takeda 2 46 2021/11/15 23:01 by Takuma Takeda undefined reference to `Set_XC_NL1_Grid' Luca 2 38 2021/11/15 22:53 by Luca There is an error in the electron transport calculation Zhipeng Huang 7 187 2021/11/09 17:03 by Zhipeng Huang deb packages of OpenMX Naoya Yamaguchi 2 55 2021/11/08 17:36 by Naoya Yamaguchi Linking fails with gcc 11.2.1 - multiple definition of many variables Pavel Ondracka 0 34 2021/11/08 16:31 by Pavel Ondracka gcube2oned for a cube file including spaces in comment lines Naoya Yamaguchi 0 29 2021/11/08 00:11 by Naoya Yamaguchi About obtaining PDOS by hybridized orbitals Takuma Takeda 2 45 2021/11/07 20:10 by Takuma Takeda openmx3.9 mpi error davidshisui 1 47 2021/11/07 14:37 by Naoya Yamaguchi Thermostat issues when simulating surface bombardment Pavel Ondračka 0 35 2021/11/04 23:26 by Pavel Ondračka openmx on Debian Bullseye H.Ueda 5 57 2021/11/04 17:59 by H.Ueda OpenMx3.9.9 install problem TSUTOMU HOSHINO 1 60 2021/11/04 01:20 by Naoya Yamaguchi Some questions about MD.TimeStep Z 2 56 2021/10/30 18:59 by Z calculation of hopping maedeh 5 107 2021/10/29 19:32 by maedeh mpirun hangs indefinetly on multiple nodes P 0 39 2021/10/29 12:53 by P The magnitude of the crystal field splitting K.Usami 0 60 2021/10/24 18:26 by K.Usami On the model with shear strain S.Sato 0 55 2021/10/21 14:56 by S.Sato Patch 3.9.3 to OpenMX Ver. 3.9 T. Ozaki 7 301 2021/10/20 12:40 by Atsushi M. Ito Energy decomposition Jingyang Wang 1 74 2021/10/17 21:50 by T. Ozaki How to put strain on a material S.Sato 1 73 2021/10/15 11:53 by Naoya Yamaguchi How to calculate eigenstates from HS.out PES217i 6 205 2021/10/06 14:44 by Naoya Yamaguchi Able to make VPS with adpack (no segmentation fault) Malone 0 79 2021/09/23 22:52 by Malone Parameters for running large systems MChen 3 110 2021/09/23 20:36 by T. Ozaki Restarting NEB calculation changes coordinate unit Hisashi Higuchi 3 80 2021/09/23 12:31 by Hisashi Higuchi Installation error openmx 3.9 Vipin Kumar 13 238 2021/09/22 21:07 by Naoya Yamaguchi How to calculate the melting point of a compound using the MD simulations? Xuemei Zhang 1 93 2021/09/18 11:12 by T. Ozaki Installation of OpenMX Ver. 3.9 on Ubuntu 18.04.4 LTS on WSL on Windows 10 (64bit) T. Ozaki 1 673 2021/08/29 10:52 by T. Ozaki The result of runtest K. Yamaguchi 4 192 2021/08/23 09:12 by K. Yamaguchi OpenMx-3.9 : segmentation fault at runtime with gcc-9 Deepali Rai 3 210 2021/08/18 20:20 by Deepali Rai Compilation advice on 5950x AMD Ryzen Zsolt 1 227 2021/08/15 10:44 by T. Ozaki bug in patch3.9.4 Jhon González 3 182 2021/08/15 10:39 by T. Ozaki orbital order in HS.out RK 1 120 2021/08/12 19:40 by Naoya Yamaguchi Problems with NH MD and multiple continuation runs Pavel Ondracka 3 124 2021/08/08 06:40 by T. Ozaki Instability of a function Band_DFT_NonCol in the case of GCC Naoya Yamaguchi 1 140 2021/08/07 12:06 by T. Ozaki Problems with MD restart and rmm-diisv Pavel Ondracka 3 131 2021/08/04 21:44 by T. Ozaki Can we calculate only overlap matrix without SCF calculation? RK 3 130 2021/08/02 20:22 by Naoya Yamaguchi Spi-orbit coupling Artem Pulkin 1 415 2021/08/01 11:48 by T. Ozaki Bug in OpenMX Artem Pulkin 2 472 2021/08/01 11:11 by T. Ozaki Scaling Samuel Dechamps 1 284 2021/08/01 10:32 by T. Ozaki Error with gcc v10 + Samuel Dechamps 2 164 2021/07/30 12:41 by T. Ozaki memory increasing as MD steps increase and the version issue on it Kunihiro Yananose 3 183 2021/07/27 15:11 by Kunihiro Yananose Error occurs when NEB calculation runs Ninomiya 7 196 2021/07/21 10:42 by Ninomiya convegence problems with corehole calculations Pavel Ondračka 8 361 2021/07/20 18:41 by T. Ozaki Temperature fluctations in NVT Nose Hoover MD calculations Lovleen Kaur 4 140 2021/07/20 17:27 by Lovleen Kaur

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