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List of Threads Topics Author Replies Views Last Modified HS.Fileout-zero imaginary part of spin mixing (spin=3) while including soc Maedeh 8 1742 2020/06/18 04:09 by Maedeh Constrained relaxation Sergey 2 1240 2020/06/10 17:17 by T. Ozaki Electrostatic potential of a molecule Kelvin 1 1533 2020/06/10 17:07 by T. Ozaki User-Defined SNAN+FNAN not working? Kelvin 1 887 2020/06/10 16:55 by T. Ozaki DFT-D3 energy changes between v3.9 and v3.8 Milica Todorovic 4 1414 2020/06/10 16:23 by T. Ozaki installation error-make file deniz 8 3360 2020/06/04 22:32 by Deniz About building OpenMX on ubuntu hiroaki tanzawa 0 887 2020/05/26 18:24 by hiroaki tanzawa Openmx 3.9 compilation sometimes freezes after "outputting data on grids to files..." Christopher 6 1036 2020/05/14 15:23 by T. Ozaki NEB calculation with lattice constant change Yuki S. 1 939 2020/05/14 15:10 by T. Ozaki Problem about 'make DosMain' Liu Jie 2 1381 2020/05/08 16:41 by Liu Jie Constraint DFT for non-collinear spin orientation-problem in fixing spin orientation Maedeh 2 1073 2020/04/27 20:06 by Maedeh Changing of kpath and re-calculating. Victor 3 998 2020/04/25 02:33 by Victor The definition for initial spin direction Chong Wang 5 1376 2020/04/24 13:37 by Chong Wang Where in source code is the LCAO decomposition printed to .out file? P 4 915 2020/04/24 06:17 by P Parameter setting for molecular dynamics(NVT_NH) cpniu 1 1037 2020/04/23 14:55 by Naoya Yamaguchi NEGF issues Luca Sementa 0 965 2020/04/03 05:26 by Luca Sementa OpenMX 3.9 ELPA MPI/OpenMP hybrid Pui Wai (Leo) Ma 4 1360 2020/04/02 17:06 by Pui Wai (Leo) Ma scf.Ngrid estimate Luca Sementa 3 1106 2020/04/02 03:14 by Luca Sementa Segmentation fault (signal 11) VictorS 5 2453 2020/03/30 20:20 by VictorS Euler Angle Mahyar 4 1762 2020/03/29 15:58 by Mahyar Memory exhaustion by cell optimization Hikaru Sawahata 2 1195 2020/03/28 23:15 by T. Ozaki BerryFlux in slandered output file of calB Umar farooq 6 1200 2020/03/28 20:13 by Hikaru Sawahata PMPI_Comm_size: Invalid communicator, error Garret Wong 3 2534 2020/03/27 11:40 by Garret Wong Surface polarization N.V.Hoi 1 881 2020/03/24 09:34 by T. Ozaki Japanese Manual of OpenMX Ver. 3.9 T. Ozaki 0 871 2020/03/21 17:47 by T. Ozaki Error installing patch 3.9.2 Samuel Dechamps 2 1030 2020/03/20 02:02 by Samuel Dechamps Spin symbol F 1 826 2020/03/12 13:52 by Naoya Yamaguchi calculation time for a small system Yongsheng Zhang 4 1050 2020/03/09 09:56 by T. Ozaki constraining magnetic field Yun-Peng Wang 3 1080 2020/03/09 09:54 by T. Ozaki ASE-OPENMX for NEB calculation Reza 2 1204 2020/03/08 08:51 by T. Ozaki scissors correction in the optics calculations Jian Zhou 2 937 2020/03/05 00:16 by Jian Zhou Noisy output for sden.cube file Maedeh 5 969 2020/03/04 17:02 by Maedeh installation error OpenMX ver 3.9 Maedeh 85 7312 2020/02/26 13:12 by Naoya Yamaguchi How to read *.scfout file? Zafer Kandemir 2 1478 2020/02/22 18:27 by Zafer Kandemir Difference in the total charge density from ESM on4 Alia Mejri 1 933 2020/02/22 00:01 by T. Ozaki Fermi level is not set to zero noopur 2 1610 2020/02/19 20:23 by T. Ozaki Zeeman term in the OpenMx3.9 have problem Umar farooq 4 1081 2020/02/12 19:33 by Umar farooq Patch 3.9.2 to OpenMX Ver. 3.9 T. Ozaki 0 969 2020/02/11 22:44 by T. Ozaki NEGF convergence making loop Vikash 2 1031 2020/02/07 01:02 by T. Ozaki Mailing list for the OpenMX Forum T. Ozaki 0 910 2020/02/06 23:09 by T. Ozaki NEB simulation Yuki Kamikawa 2 943 2020/01/30 21:00 by Yuki Kamikawa NEB memory and parallel problems Reza 6 1073 2020/01/29 00:41 by T. Ozaki DosMain issue in metal-graphene heterostructures Samuel Dechamps 1 979 2020/01/25 13:51 by T. Ozaki cygwin_exception::open_stackdumpfile: Dumping stack masood 2 9576 2020/01/22 02:05 by masood core dumped in the exchange coupling calculation (Jx) for Mn12 Po-Hao 2 1226 2020/01/20 16:07 by Asako Terasawa LzSz only spin-orbit coupling in collinear spin calculation? Asako Terasawa 7 1314 2020/01/19 22:41 by Alireza Baradaran Error in compiling openmx3.9 Xiaoxiong 2 2717 2020/01/18 16:31 by Xiaoxiong Cannot finish the NEGF testrun K. Yamaguchi 4 1387 2020/01/18 12:34 by T. Ozaki error installation in openmx3.9 Alireza Baradaran 1 954 2020/01/18 00:30 by Alireza Baradaran Problem with jx in ver 3.9.1 Zsolt 5 1174 2020/01/17 11:29 by Asako Terasawa

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