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List of Threads Topics Author Replies Views Last Modified Parameter setting for molecular dynamics(NVT_NH) cpniu 1 921 2020/04/23 14:55 by Naoya Yamaguchi NEGF issues Luca Sementa 0 860 2020/04/03 05:26 by Luca Sementa OpenMX 3.9 ELPA MPI/OpenMP hybrid Pui Wai (Leo) Ma 4 1192 2020/04/02 17:06 by Pui Wai (Leo) Ma scf.Ngrid estimate Luca Sementa 3 977 2020/04/02 03:14 by Luca Sementa Segmentation fault (signal 11) VictorS 5 2248 2020/03/30 20:20 by VictorS Euler Angle Mahyar 4 1568 2020/03/29 15:58 by Mahyar Memory exhaustion by cell optimization Hikaru Sawahata 2 1073 2020/03/28 23:15 by T. Ozaki BerryFlux in slandered output file of calB Umar farooq 6 1084 2020/03/28 20:13 by Hikaru Sawahata PMPI_Comm_size: Invalid communicator, error Garret Wong 3 2367 2020/03/27 11:40 by Garret Wong Surface polarization N.V.Hoi 1 777 2020/03/24 09:34 by T. Ozaki Japanese Manual of OpenMX Ver. 3.9 T. Ozaki 0 767 2020/03/21 17:47 by T. Ozaki Error installing patch 3.9.2 Samuel Dechamps 2 931 2020/03/20 02:02 by Samuel Dechamps Spin symbol F 1 726 2020/03/12 13:52 by Naoya Yamaguchi calculation time for a small system Yongsheng Zhang 4 939 2020/03/09 09:56 by T. Ozaki constraining magnetic field Yun-Peng Wang 3 949 2020/03/09 09:54 by T. Ozaki ASE-OPENMX for NEB calculation Reza 2 1056 2020/03/08 08:51 by T. Ozaki scissors correction in the optics calculations Jian Zhou 2 806 2020/03/05 00:16 by Jian Zhou Noisy output for sden.cube file Maedeh 5 864 2020/03/04 17:02 by Maedeh installation error OpenMX ver 3.9 Maedeh 85 6996 2020/02/26 13:12 by Naoya Yamaguchi How to read *.scfout file? Zafer Kandemir 2 1341 2020/02/22 18:27 by Zafer Kandemir Difference in the total charge density from ESM on4 Alia Mejri 1 801 2020/02/22 00:01 by T. Ozaki Fermi level is not set to zero noopur 2 1433 2020/02/19 20:23 by T. Ozaki Zeeman term in the OpenMx3.9 have problem Umar farooq 4 973 2020/02/12 19:33 by Umar farooq Patch 3.9.2 to OpenMX Ver. 3.9 T. Ozaki 0 866 2020/02/11 22:44 by T. Ozaki NEGF convergence making loop Vikash 2 918 2020/02/07 01:02 by T. Ozaki Mailing list for the OpenMX Forum T. Ozaki 0 806 2020/02/06 23:09 by T. Ozaki NEB simulation Yuki Kamikawa 2 842 2020/01/30 21:00 by Yuki Kamikawa NEB memory and parallel problems Reza 6 946 2020/01/29 00:41 by T. Ozaki DosMain issue in metal-graphene heterostructures Samuel Dechamps 1 856 2020/01/25 13:51 by T. Ozaki cygwin_exception::open_stackdumpfile: Dumping stack masood 2 9349 2020/01/22 02:05 by masood core dumped in the exchange coupling calculation (Jx) for Mn12 Po-Hao 2 1114 2020/01/20 16:07 by Asako Terasawa LzSz only spin-orbit coupling in collinear spin calculation? Asako Terasawa 7 1183 2020/01/19 22:41 by Alireza Baradaran Error in compiling openmx3.9 Xiaoxiong 2 2568 2020/01/18 16:31 by Xiaoxiong Cannot finish the NEGF testrun K. Yamaguchi 4 1260 2020/01/18 12:34 by T. Ozaki error installation in openmx3.9 Alireza Baradaran 1 851 2020/01/18 00:30 by Alireza Baradaran Problem with jx in ver 3.9.1 Zsolt 5 1062 2020/01/17 11:29 by Asako Terasawa Bad convergence for calculations with an electric field Chen 1 819 2020/01/16 13:35 by Po-Hao NEGF zgetrf failed error masood 0 757 2020/01/14 03:56 by masood Error in installing openmx with intel mpi compiler and mkl Chen 5 1775 2020/01/13 18:07 by Chen NEGF Convergence problem Vikash 4 1058 2020/01/09 18:53 by Vikash The convergence of RFC5 Alisa 1 857 2020/01/02 15:51 by T. Ozaki Patch 3.9.1 to OpenMX Ver. 3.9 T. Ozaki 0 795 2020/01/02 15:40 by T. Ozaki formate of seed_name.AtomMulP genrated by kSpin Umar farooq 11 1263 2019/12/31 11:57 by Naoya Yamaguchi NEGF calculation of OpenMX Ver 3.9 Xingqiang SHI 2 999 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 1184 2019/12/25 01:27 by Zuzhang Lin Question about '.md2' file. Liu Jie 4 832 2019/12/23 15:30 by Liu Jie Higher Bond length of Arsenous acid Lovleen Kaur 2 1140 2019/12/18 18:20 by T. Ozaki which paramiter can control the maximum step? Liu Jie 10 990 2019/12/18 12:01 by Liu Jie pseudopotentials for ions M Chen 2 1219 2019/12/17 16:35 by Chen How to obtain the initial charge? Liu Jie 1 875 2019/12/16 23:19 by T. Ozaki

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