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List of Threads Topics Author Replies Views Last Modified Openmx 3.9 compilation sometimes freezes after "outputting data on grids to files..." Christopher 6 270 2020/05/14 15:23 by T. Ozaki NEB calculation with lattice constant change Yuki S. 1 203 2020/05/14 15:10 by T. Ozaki Problem about 'make DosMain' Liu Jie 2 287 2020/05/08 16:41 by Liu Jie Constraint DFT for non-collinear spin orientation-problem in fixing spin orientation Maedeh 2 224 2020/04/27 20:06 by Maedeh Changing of kpath and re-calculating. Victor 3 213 2020/04/25 02:33 by Victor The definition for initial spin direction Chong Wang 5 276 2020/04/24 13:37 by Chong Wang Where in source code is the LCAO decomposition printed to .out file? P 4 210 2020/04/24 06:17 by P Parameter setting for molecular dynamics(NVT_NH) cpniu 1 241 2020/04/23 14:55 by Naoya Yamaguchi NEGF issues Luca Sementa 0 275 2020/04/03 05:26 by Luca Sementa OpenMX 3.9 ELPA MPI/OpenMP hybrid Pui Wai (Leo) Ma 4 400 2020/04/02 17:06 by Pui Wai (Leo) Ma scf.Ngrid estimate Luca Sementa 3 248 2020/04/02 03:14 by Luca Sementa Segmentation fault (signal 11) VictorS 5 345 2020/03/30 20:20 by VictorS Euler Angle Mahyar 4 292 2020/03/29 15:58 by Mahyar Memory exhaustion by cell optimization Hikaru Sawahata 2 225 2020/03/28 23:15 by T. Ozaki BerryFlux in slandered output file of calB Umar farooq 6 399 2020/03/28 20:13 by Hikaru Sawahata PMPI_Comm_size: Invalid communicator, error Garret Wong 3 468 2020/03/27 11:40 by Garret Wong Surface polarization N.V.Hoi 1 230 2020/03/24 09:34 by T. Ozaki Japanese Manual of OpenMX Ver. 3.9 T. Ozaki 0 218 2020/03/21 17:47 by T. Ozaki Error installing patch 3.9.2 Samuel Dechamps 2 245 2020/03/20 02:02 by Samuel Dechamps Spin symbol F 1 214 2020/03/12 13:52 by Naoya Yamaguchi calculation time for a small system Yongsheng Zhang 4 248 2020/03/09 09:56 by T. Ozaki constraining magnetic field Yun-Peng Wang 3 261 2020/03/09 09:54 by T. Ozaki ASE-OPENMX for NEB calculation Reza 2 311 2020/03/08 08:51 by T. Ozaki scissors correction in the optics calculations Jian Zhou 2 213 2020/03/05 00:16 by Jian Zhou Noisy output for sden.cube file Maedeh 5 245 2020/03/04 17:02 by Maedeh installation error OpenMX ver 3.9 Maedeh 85 2223 2020/02/26 13:12 by Naoya Yamaguchi How to read *.scfout file? Zafer Kandemir 2 294 2020/02/22 18:27 by Zafer Kandemir Difference in the total charge density from ESM on4 Alia Mejri 1 209 2020/02/22 00:01 by T. Ozaki Fermi level is not set to zero noopur 2 281 2020/02/19 20:23 by T. Ozaki Patch 3.9.2 to OpenMX Ver. 3.9 T. Ozaki 0 272 2020/02/11 22:44 by T. Ozaki NEGF convergence making loop Vikash 2 266 2020/02/07 01:02 by T. Ozaki Mailing list for the OpenMX Forum T. Ozaki 0 250 2020/02/06 23:09 by T. Ozaki NEB simulation Yuki Kamikawa 2 253 2020/01/30 21:00 by Yuki Kamikawa NEB memory and parallel problems Reza 6 282 2020/01/29 00:41 by T. Ozaki DosMain issue in metal-graphene heterostructures Samuel Dechamps 1 240 2020/01/25 13:51 by T. Ozaki cygwin_exception::open_stackdumpfile: Dumping stack masood 2 2201 2020/01/22 02:05 by masood core dumped in the exchange coupling calculation (Jx) for Mn12 Po-Hao 2 299 2020/01/20 16:07 by Asako Terasawa LzSz only spin-orbit coupling in collinear spin calculation? Asako Terasawa 7 386 2020/01/19 22:41 by Alireza Baradaran Error in compiling openmx3.9 Xiaoxiong 2 612 2020/01/18 16:31 by Xiaoxiong Cannot finish the NEGF testrun K. Yamaguchi 4 379 2020/01/18 12:34 by T. Ozaki error installation in openmx3.9 Alireza Baradaran 1 247 2020/01/18 00:30 by Alireza Baradaran Problem with jx in ver 3.9.1 Zsolt 5 335 2020/01/17 11:29 by Asako Terasawa Bad convergence for calculations with an electric field Chen 1 223 2020/01/16 13:35 by Po-Hao NEGF zgetrf failed error masood 0 215 2020/01/14 03:56 by masood Error in installing openmx with intel mpi compiler and mkl Chen 5 513 2020/01/13 18:07 by Chen NEGF Convergence problem Vikash 4 363 2020/01/09 18:53 by Vikash The convergence of RFC5 Alisa 1 257 2020/01/02 15:51 by T. Ozaki Patch 3.9.1 to OpenMX Ver. 3.9 T. Ozaki 0 249 2020/01/02 15:40 by T. Ozaki formate of seed_name.AtomMulP genrated by kSpin Umar farooq 11 384 2019/12/31 11:57 by Naoya Yamaguchi NEGF calculation of OpenMX Ver 3.9 Xingqiang SHI 2 303 2019/12/30 16:39 by Xingqiang SHI

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