OpenMX Forum

New Thread | Return Home | Mailing List | Points of Concern | Search | Past Log | Administration

List of Threads Topics Author Replies Views Last Modified Wrong Uele for periodic system with large basis Daniil 4 517 2017/06/05 21:13 by Daniil what is the purpose of -Dxt3 in the makefile? [SOLVED] Chris Latham 2 510 2017/06/01 19:44 by Chris Latham variable cell optimization mosahar 6 705 2017/06/01 17:18 by mosahar Significant mismatch between the bandgap values computed by bandstructure and Dos (Not solved ...) AM 8 774 2017/05/28 12:05 by T. Ozaki Bessel expansion of PAO/VPS Artem Pulkin 5 743 2017/05/24 09:45 by T. Ozaki Memcpy argument memory ranges overlap with MPICH2 (SOLVED) Kylin 1 1854 2017/05/24 09:26 by T. Ozaki Output format of the stress tensor Pascal Bliem 1 655 2017/05/23 17:36 by Yung Ting Lee Segmentation fault in _IO_vfprintf with large basis Daniil 4 1071 2017/05/19 05:02 by Daniil Compile openMX with Intel Compiler and ACML math library Kylin 4 944 2017/05/18 11:09 by T. Ozaki how to compare the energy calculated from openmx and vasp Frank Zhou 1 821 2017/05/18 09:27 by T. Ozaki NEGF.tran.Kgrid mmhs 5 629 2017/04/28 02:37 by mmhs Phonon dispersion Fronquer 3 854 2017/04/25 07:27 by Kylin polB SH 1 630 2017/04/22 00:42 by Naoya Yamaguchi No current in NEGF calculation Bill Guo 7 788 2017/04/20 13:20 by T. Ozaki LCAO coefficients in real spherical harmonics, trasform into spherical harmonics P 4 587 2017/04/20 13:10 by T. Ozaki cell depiction tom.h 1 574 2017/04/12 18:18 by T. Ozaki compiling issues Luca 2 750 2017/04/09 21:45 by Luca OpenMX input by OpenMX Viewer T. Ozaki 0 759 2017/04/08 10:43 by T. Ozaki tips for NEGF calculations: Mulliken charges, basis sets, ghost atoms, convergence lzotti 2 654 2017/04/08 00:36 by lzotti Can I optimize the "Optimized PAO"? Pui-Wai (Leo) Ma 5 730 2017/03/31 17:50 by Pui-Wai (Leo) Ma gap calculation with homo-lumo Maedeh 2 671 2017/03/27 15:31 by Maedeh weird output in ".dat#" Pui-Wai (Leo) Ma 6 642 2017/03/26 23:53 by Kylin ERROR: Lapack routine DSTEQR failed Pui-Wai (Leo) Ma 2 659 2017/03/26 18:27 by T. Ozaki The misterious performance deterioration Kylin 2 666 2017/03/21 09:27 by T. Ozaki Beginner's question for OpenMX 3.7 A. Vogt 3 746 2017/03/20 21:47 by A. Vogt openmx3.6 amer 2 557 2017/03/15 15:25 by amer Fatal error in NEGF run Andy 10 875 2017/03/14 18:55 by Fronquer leads amin 2 531 2017/03/13 19:34 by Artem Pulkin The Divergence of graphene calulcation in ESM model (ON2, M|V|M) Kylin 1 886 2017/03/11 09:33 by T. Ozaki The strange Nan result for negf_example/Lead-L-8ZGNR-NC.dat Kylin 5 1365 2017/03/11 09:21 by T. Ozaki Another possible erratic problem in the Forcetest for F2_GGA.dat and GaAs_LDA.dat Kylin 8 877 2017/03/10 15:55 by T. Ozaki OMXTool Naoya Yamaguchi 1 830 2017/03/10 00:03 by T. Ozaki VPS and PAO grids Daniil 1 606 2017/03/09 23:38 by T. Ozaki cuda patch amer 2 599 2017/03/09 02:55 by amer Patch 3.8.3 to OpenMX Ver. 3.8 T. Ozaki 0 534 2017/03/08 15:01 by T. Ozaki transmission(bias window) ebrahim 1 734 2017/03/08 11:28 by T. Ozaki openmx-hks Artem Pulkin 1 769 2017/03/08 11:09 by T. Ozaki Japanese manual of the OpenMX Ver. 3.8 T. Ozaki 0 583 2017/03/08 01:27 by T. Ozaki Spin density and charge transfer Asad 2 662 2017/03/04 04:48 by Asad openmx-3.8.1 and the latest ELPA marcindulak 1 790 2017/03/02 22:49 by T. Ozaki Patch 3.8.2 to OpenMX Ver. 3.8 T. Ozaki 0 692 2017/03/02 22:40 by T. Ozaki OpenMX 3.8 compiling error Shinya Tsukamoto 3 873 2017/03/02 22:38 by T. Ozaki Berry phase calculation failure John Sham 1 1025 2017/03/02 22:34 by T. Ozaki convergence-graphene sheet Deniz 4 805 2017/03/02 21:43 by T. Ozaki DFT-D3 for graphene S Dechamps 1 1000 2017/03/02 14:51 by T. Ozaki Open Core dch 2 587 2017/03/02 13:51 by T. Ozaki non-collinear angles Roman Borovic 1 795 2017/03/02 11:53 by T. Ozaki For parallel compile "make -j" Atsushi M. Ito 1 701 2017/03/02 11:46 by T. Ozaki Variable cell optimization with external pressure Le The Anh 1 751 2017/03/02 10:24 by T. Ozaki MD.Opt.EveryDIIS amer 1 701 2017/02/26 13:20 by Naoya Yamaguchi

Page: [1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [13] [14] [15] [16] [17] [18] [19] [20] [21] [22]

Open Thread    Locked Thread    Alarm（More than 180 replies）   Message from Administrator

- Web Patio -