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List of Threads Topics Author Replies Views Last Modified Different atomic force from same atomic configuration position Yuanhan 2 620 2020/07/20 08:08 by T. Ozaki MPI problem during compiling Eike F. Schwier 4 2410 2020/07/09 23:13 by Eike F. Schwier Totally wrong convergence in supercell Zuzhang Lin 11 990 2020/07/02 09:45 by Zuzhang Lin Issue Compiling OpenMX 3.9 David 1 792 2020/07/01 12:58 by Naoya Yamaguchi Outputting core electron density? Kelvin 2 627 2020/06/27 22:40 by T. Ozaki HS.Fileout-zero imaginary part of spin mixing (spin=3) while including soc Maedeh 8 1200 2020/06/18 04:09 by Maedeh Constrained relaxation Sergey 2 810 2020/06/10 17:17 by T. Ozaki Electrostatic potential of a molecule Kelvin 1 1046 2020/06/10 17:07 by T. Ozaki User-Defined SNAN+FNAN not working? Kelvin 1 593 2020/06/10 16:55 by T. Ozaki DFT-D3 energy changes between v3.9 and v3.8 Milica Todorovic 4 884 2020/06/10 16:23 by T. Ozaki installation error-make file deniz 8 2231 2020/06/04 22:32 by Deniz About building OpenMX on ubuntu hiroaki tanzawa 0 615 2020/05/26 18:24 by hiroaki tanzawa Openmx 3.9 compilation sometimes freezes after "outputting data on grids to files..." Christopher 6 721 2020/05/14 15:23 by T. Ozaki NEB calculation with lattice constant change Yuki S. 1 598 2020/05/14 15:10 by T. Ozaki Problem about 'make DosMain' Liu Jie 2 952 2020/05/08 16:41 by Liu Jie Constraint DFT for non-collinear spin orientation-problem in fixing spin orientation Maedeh 2 686 2020/04/27 20:06 by Maedeh Changing of kpath and re-calculating. Victor 3 646 2020/04/25 02:33 by Victor The definition for initial spin direction Chong Wang 5 905 2020/04/24 13:37 by Chong Wang Where in source code is the LCAO decomposition printed to .out file? P 4 626 2020/04/24 06:17 by P Parameter setting for molecular dynamics(NVT_NH) cpniu 1 695 2020/04/23 14:55 by Naoya Yamaguchi NEGF issues Luca Sementa 0 690 2020/04/03 05:26 by Luca Sementa OpenMX 3.9 ELPA MPI/OpenMP hybrid Pui Wai (Leo) Ma 4 918 2020/04/02 17:06 by Pui Wai (Leo) Ma scf.Ngrid estimate Luca Sementa 3 730 2020/04/02 03:14 by Luca Sementa Segmentation fault (signal 11) VictorS 5 1595 2020/03/30 20:20 by VictorS Euler Angle Mahyar 4 1032 2020/03/29 15:58 by Mahyar Memory exhaustion by cell optimization Hikaru Sawahata 2 795 2020/03/28 23:15 by T. Ozaki BerryFlux in slandered output file of calB Umar farooq 6 871 2020/03/28 20:13 by Hikaru Sawahata PMPI_Comm_size: Invalid communicator, error Garret Wong 3 1730 2020/03/27 11:40 by Garret Wong Surface polarization N.V.Hoi 1 605 2020/03/24 09:34 by T. Ozaki Japanese Manual of OpenMX Ver. 3.9 T. Ozaki 0 592 2020/03/21 17:47 by T. Ozaki Error installing patch 3.9.2 Samuel Dechamps 2 737 2020/03/20 02:02 by Samuel Dechamps Spin symbol F 1 545 2020/03/12 13:52 by Naoya Yamaguchi calculation time for a small system Yongsheng Zhang 4 704 2020/03/09 09:56 by T. Ozaki constraining magnetic field Yun-Peng Wang 3 725 2020/03/09 09:54 by T. Ozaki ASE-OPENMX for NEB calculation Reza 2 773 2020/03/08 08:51 by T. Ozaki scissors correction in the optics calculations Jian Zhou 2 596 2020/03/05 00:16 by Jian Zhou Noisy output for sden.cube file Maedeh 5 643 2020/03/04 17:02 by Maedeh installation error OpenMX ver 3.9 Maedeh 85 5858 2020/02/26 13:12 by Naoya Yamaguchi How to read *.scfout file? Zafer Kandemir 2 844 2020/02/22 18:27 by Zafer Kandemir Difference in the total charge density from ESM on4 Alia Mejri 1 603 2020/02/22 00:01 by T. Ozaki Fermi level is not set to zero noopur 2 996 2020/02/19 20:23 by T. Ozaki Zeeman term in the OpenMx3.9 have problem Umar farooq 4 786 2020/02/12 19:33 by Umar farooq Patch 3.9.2 to OpenMX Ver. 3.9 T. Ozaki 0 674 2020/02/11 22:44 by T. Ozaki NEGF convergence making loop Vikash 2 693 2020/02/07 01:02 by T. Ozaki Mailing list for the OpenMX Forum T. Ozaki 0 625 2020/02/06 23:09 by T. Ozaki NEB simulation Yuki Kamikawa 2 653 2020/01/30 21:00 by Yuki Kamikawa NEB memory and parallel problems Reza 6 714 2020/01/29 00:41 by T. Ozaki DosMain issue in metal-graphene heterostructures Samuel Dechamps 1 640 2020/01/25 13:51 by T. Ozaki cygwin_exception::open_stackdumpfile: Dumping stack masood 2 7513 2020/01/22 02:05 by masood core dumped in the exchange coupling calculation (Jx) for Mn12 Po-Hao 2 837 2020/01/20 16:07 by Asako Terasawa

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