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List of Threads Topics Author Replies Views Last Modified From Administrator Taisuke Ozaki 0 5824 2005/01/09 05:33 by Taisuke Ozaki NEGF issues Luca Sementa 0 14 2020/04/03 05:26 by Luca Sementa OpenMX 3.9 ELPA MPI/OpenMP hybrid Pui Wai (Leo) Ma 4 144 2020/04/02 17:06 by Pui Wai (Leo) Ma scf.Ngrid estimate Luca Sementa 3 26 2020/04/02 03:14 by Luca Sementa Segmentation fault (signal 11) VictorS 5 37 2020/03/30 20:20 by VictorS Euler Angle Mahyar 4 34 2020/03/29 15:58 by Mahyar Memory exhaustion by cell optimization Hikaru Sawahata 2 28 2020/03/28 23:15 by T. Ozaki BerryFlux in slandered output file of calB Umar farooq 6 179 2020/03/28 20:13 by Hikaru Sawahata PMPI_Comm_size: Invalid communicator, error Garret Wong 3 35 2020/03/27 11:40 by Garret Wong Surface polarization N.V.Hoi 1 28 2020/03/24 09:34 by T. Ozaki Japanese Manual of OpenMX Ver. 3.9 T. Ozaki 0 43 2020/03/21 17:47 by T. Ozaki Error installing patch 3.9.2 Samuel Dechamps 2 43 2020/03/20 02:02 by Samuel Dechamps Spin symbol F 1 42 2020/03/12 13:52 by Naoya Yamaguchi calculation time for a small system Yongsheng Zhang 4 66 2020/03/09 09:56 by T. Ozaki constraining magnetic field Yun-Peng Wang 3 48 2020/03/09 09:54 by T. Ozaki ASE-OPENMX for NEB calculation Reza 2 54 2020/03/08 08:51 by T. Ozaki scissors correction in the optics calculations Jian Zhou 2 58 2020/03/05 00:16 by Jian Zhou Noisy output for sden.cube file Maedeh 5 65 2020/03/04 17:02 by Maedeh installation error OpenMX ver 3.9 Maedeh 85 847 2020/02/26 13:12 by Naoya Yamaguchi How to read *.scfout file? Zafer Kandemir 2 89 2020/02/22 18:27 by Zafer Kandemir Difference in the total charge density from ESM on4 Alia Mejri 1 53 2020/02/22 00:01 by T. Ozaki Fermi level is not set to zero noopur 2 60 2020/02/19 20:23 by T. Ozaki Zeeman term in the OpenMx3.9 have problem Umar farooq 4 123 2020/02/12 19:33 by Umar farooq Patch 3.9.2 to OpenMX Ver. 3.9 T. Ozaki 0 85 2020/02/11 22:44 by T. Ozaki NEGF convergence making loop Vikash 2 89 2020/02/07 01:02 by T. Ozaki Mailing list for the OpenMX Forum T. Ozaki 0 88 2020/02/06 23:09 by T. Ozaki NEB simulation Yuki Kamikawa 2 77 2020/01/30 21:00 by Yuki Kamikawa NEB memory and parallel problems Reza 6 105 2020/01/29 00:41 by T. Ozaki DosMain issue in metal-graphene heterostructures Samuel Dechamps 1 79 2020/01/25 13:51 by T. Ozaki cygwin_exception::open_stackdumpfile: Dumping stack masood 2 82 2020/01/22 02:05 by masood core dumped in the exchange coupling calculation (Jx) for Mn12 Po-Hao 2 107 2020/01/20 16:07 by Asako Terasawa LzSz only spin-orbit coupling in collinear spin calculation? Asako Terasawa 7 187 2020/01/19 22:41 by Alireza Baradaran Error in compiling openmx3.9 Xiaoxiong 2 152 2020/01/18 16:31 by Xiaoxiong Cannot finish the NEGF testrun K. Yamaguchi 4 130 2020/01/18 12:34 by T. Ozaki error installation in openmx3.9 Alireza Baradaran 1 82 2020/01/18 00:30 by Alireza Baradaran Problem with jx in ver 3.9.1 Zsolt 5 124 2020/01/17 11:29 by Asako Terasawa Bad convergence for calculations with an electric field Chen 1 73 2020/01/16 13:35 by Po-Hao NEGF zgetrf failed error masood 0 77 2020/01/14 03:56 by masood Error in installing openmx with intel mpi compiler and mkl Chen 5 154 2020/01/13 18:07 by Chen NEGF Convergence problem Vikash 4 170 2020/01/09 18:53 by Vikash The convergence of RFC5 Alisa 1 104 2020/01/02 15:51 by T. Ozaki Patch 3.9.1 to OpenMX Ver. 3.9 T. Ozaki 0 101 2020/01/02 15:40 by T. Ozaki formate of seed_name.AtomMulP genrated by kSpin Umar farooq 11 218 2019/12/31 11:57 by Naoya Yamaguchi NEGF calculation of OpenMX Ver 3.9 Xingqiang SHI 2 135 2019/12/30 16:39 by Xingqiang SHI Forces of same structure gotten from openmx are a lot different from that from vasp Zuzhang Lin 2 147 2019/12/25 01:27 by Zuzhang Lin Question about '.md2' file. Liu Jie 4 102 2019/12/23 15:30 by Liu Jie Higher Bond length of Arsenous acid Lovleen Kaur 2 244 2019/12/18 18:20 by T. Ozaki which paramiter can control the maximum step? Liu Jie 10 166 2019/12/18 12:01 by Liu Jie pseudopotentials for ions M Chen 2 220 2019/12/17 16:35 by Chen How to obtain the initial charge? Liu Jie 1 128 2019/12/16 23:19 by T. Ozaki

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