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List of Threads Topics Author Replies Views Last Modified Surface polarization N.V.Hoi 1 501 2020/03/24 09:34 by T. Ozaki Japanese Manual of OpenMX Ver. 3.9 T. Ozaki 0 483 2020/03/21 17:47 by T. Ozaki Error installing patch 3.9.2 Samuel Dechamps 2 573 2020/03/20 02:02 by Samuel Dechamps Spin symbol F 1 440 2020/03/12 13:52 by Naoya Yamaguchi calculation time for a small system Yongsheng Zhang 4 587 2020/03/09 09:56 by T. Ozaki constraining magnetic field Yun-Peng Wang 3 593 2020/03/09 09:54 by T. Ozaki ASE-OPENMX for NEB calculation Reza 2 644 2020/03/08 08:51 by T. Ozaki scissors correction in the optics calculations Jian Zhou 2 475 2020/03/05 00:16 by Jian Zhou Noisy output for sden.cube file Maedeh 5 531 2020/03/04 17:02 by Maedeh installation error OpenMX ver 3.9 Maedeh 85 5229 2020/02/26 13:12 by Naoya Yamaguchi How to read *.scfout file? Zafer Kandemir 2 683 2020/02/22 18:27 by Zafer Kandemir Difference in the total charge density from ESM on4 Alia Mejri 1 496 2020/02/22 00:01 by T. Ozaki Fermi level is not set to zero noopur 2 784 2020/02/19 20:23 by T. Ozaki Zeeman term in the OpenMx3.9 have problem Umar farooq 4 679 2020/02/12 19:33 by Umar farooq Patch 3.9.2 to OpenMX Ver. 3.9 T. Ozaki 0 558 2020/02/11 22:44 by T. Ozaki NEGF convergence making loop Vikash 2 588 2020/02/07 01:02 by T. Ozaki Mailing list for the OpenMX Forum T. Ozaki 0 519 2020/02/06 23:09 by T. Ozaki NEB simulation Yuki Kamikawa 2 547 2020/01/30 21:00 by Yuki Kamikawa NEB memory and parallel problems Reza 6 595 2020/01/29 00:41 by T. Ozaki DosMain issue in metal-graphene heterostructures Samuel Dechamps 1 514 2020/01/25 13:51 by T. Ozaki cygwin_exception::open_stackdumpfile: Dumping stack masood 2 6028 2020/01/22 02:05 by masood core dumped in the exchange coupling calculation (Jx) for Mn12 Po-Hao 2 655 2020/01/20 16:07 by Asako Terasawa LzSz only spin-orbit coupling in collinear spin calculation? Asako Terasawa 7 798 2020/01/19 22:41 by Alireza Baradaran Error in compiling openmx3.9 Xiaoxiong 2 1681 2020/01/18 16:31 by Xiaoxiong Cannot finish the NEGF testrun K. Yamaguchi 4 849 2020/01/18 12:34 by T. Ozaki error installation in openmx3.9 Alireza Baradaran 1 572 2020/01/18 00:30 by Alireza Baradaran Problem with jx in ver 3.9.1 Zsolt 5 707 2020/01/17 11:29 by Asako Terasawa Bad convergence for calculations with an electric field Chen 1 522 2020/01/16 13:35 by Po-Hao NEGF zgetrf failed error masood 0 493 2020/01/14 03:56 by masood Error in installing openmx with intel mpi compiler and mkl Chen 5 1176 2020/01/13 18:07 by Chen NEGF Convergence problem Vikash 4 709 2020/01/09 18:53 by Vikash The convergence of RFC5 Alisa 1 547 2020/01/02 15:51 by T. Ozaki Patch 3.9.1 to OpenMX Ver. 3.9 T. Ozaki 0 504 2020/01/02 15:40 by T. Ozaki formate of seed_name.AtomMulP genrated by kSpin Umar farooq 11 782 2019/12/31 11:57 by Naoya Yamaguchi NEGF calculation of OpenMX Ver 3.9 Xingqiang SHI 2 657 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 2 685 2019/12/25 01:27 by Zuzhang Lin Question about '.md2' file. Liu Jie 4 504 2019/12/23 15:30 by Liu Jie Higher Bond length of Arsenous acid Lovleen Kaur 2 801 2019/12/18 18:20 by T. Ozaki which paramiter can control the maximum step? Liu Jie 10 663 2019/12/18 12:01 by Liu Jie pseudopotentials for ions M Chen 2 841 2019/12/17 16:35 by Chen How to obtain the initial charge? Liu Jie 1 572 2019/12/16 23:19 by T. Ozaki Error when Installing 3.9 version kmaz 1 655 2019/12/11 22:53 by Mitsuaki Kawamura Release of OpenMX Ver 3.9 T. Ozaki 2 691 2019/12/11 21:33 by T. Ozaki NEGF calculations converge to unphysical results when 2 leads are different Maxim Visotin 3 927 2019/11/25 22:02 by Artem Pulkin compiler error for Intel Compilers and MKL Library zhiying guo 1 561 2019/11/23 14:56 by Naoya Yamaguchi Re: Installation of openmx in ubuntu deniz 6 1592 2019/10/25 11:06 by Naoya Yamaguchi SOLVED Bug on JX with Energy.Decomposition ON Jhon W. Gonzalez 2 695 2019/10/20 11:04 by Jhon W. Gonzalez (Maybe) fixing Vdw-d3(bj) Jhon W. Gonzalez 3 1519 2019/10/16 13:41 by T. Ozaki A sharing package for new version (2019) of PAO and VPS Kylin 0 706 2019/10/06 09:25 by Kylin stress calculation Hoi 1 654 2019/09/21 11:35 by T. Ozaki

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