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List of Threads Topics Author Replies Views Last Modified installation error OpenMX ver 3.9 Maedeh 85 7615 2020/02/26 13:12 by Naoya Yamaguchi How to read *.scfout file? Zafer Kandemir 2 1623 2020/02/22 18:27 by Zafer Kandemir Difference in the total charge density from ESM on4 Alia Mejri 1 1030 2020/02/22 00:01 by T. Ozaki Fermi level is not set to zero noopur 2 1756 2020/02/19 20:23 by T. Ozaki Zeeman term in the OpenMx3.9 have problem Umar farooq 4 1156 2020/02/12 19:33 by Umar farooq Patch 3.9.2 to OpenMX Ver. 3.9 T. Ozaki 0 1074 2020/02/11 22:44 by T. Ozaki NEGF convergence making loop Vikash 2 1123 2020/02/07 01:02 by T. Ozaki Mailing list for the OpenMX Forum T. Ozaki 0 989 2020/02/06 23:09 by T. Ozaki NEB simulation Yuki Kamikawa 2 1027 2020/01/30 21:00 by Yuki Kamikawa NEB memory and parallel problems Reza 6 1170 2020/01/29 00:41 by T. Ozaki DosMain issue in metal-graphene heterostructures Samuel Dechamps 1 1056 2020/01/25 13:51 by T. Ozaki cygwin_exception::open_stackdumpfile: Dumping stack masood 2 9766 2020/01/22 02:05 by masood core dumped in the exchange coupling calculation (Jx) for Mn12 Po-Hao 2 1327 2020/01/20 16:07 by Asako Terasawa LzSz only spin-orbit coupling in collinear spin calculation? Asako Terasawa 7 1435 2020/01/19 22:41 by Alireza Baradaran Error in compiling openmx3.9 Xiaoxiong 2 2815 2020/01/18 16:31 by Xiaoxiong Cannot finish the NEGF testrun K. Yamaguchi 4 1482 2020/01/18 12:34 by T. Ozaki error installation in openmx3.9 Alireza Baradaran 1 1020 2020/01/18 00:30 by Alireza Baradaran Problem with jx in ver 3.9.1 Zsolt 5 1258 2020/01/17 11:29 by Asako Terasawa Bad convergence for calculations with an electric field Chen 1 1005 2020/01/16 13:35 by Po-Hao NEGF zgetrf failed error masood 0 922 2020/01/14 03:56 by masood Error in installing openmx with intel mpi compiler and mkl Chen 5 2027 2020/01/13 18:07 by Chen NEGF Convergence problem Vikash 4 1245 2020/01/09 18:53 by Vikash The convergence of RFC5 Alisa 1 1040 2020/01/02 15:51 by T. Ozaki Patch 3.9.1 to OpenMX Ver. 3.9 T. Ozaki 0 982 2020/01/02 15:40 by T. Ozaki formate of seed_name.AtomMulP genrated by kSpin Umar farooq 11 1481 2019/12/31 11:57 by Naoya Yamaguchi NEGF calculation of OpenMX Ver 3.9 Xingqiang SHI 2 1203 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 1427 2019/12/25 01:27 by Zuzhang Lin Question about '.md2' file. Liu Jie 4 1033 2019/12/23 15:30 by Liu Jie Higher Bond length of Arsenous acid Lovleen Kaur 2 1370 2019/12/18 18:20 by T. Ozaki which paramiter can control the maximum step? Liu Jie 10 1182 2019/12/18 12:01 by Liu Jie pseudopotentials for ions M Chen 2 1399 2019/12/17 16:35 by Chen How to obtain the initial charge? Liu Jie 1 1053 2019/12/16 23:19 by T. Ozaki Error when Installing 3.9 version kmaz 1 1141 2019/12/11 22:53 by Mitsuaki Kawamura Release of OpenMX Ver 3.9 T. Ozaki 2 1252 2019/12/11 21:33 by T. Ozaki NEGF calculations converge to unphysical results when 2 leads are different Maxim Visotin 3 1531 2019/11/25 22:02 by Artem Pulkin compiler error for Intel Compilers and MKL Library zhiying guo 1 1026 2019/11/23 14:56 by Naoya Yamaguchi Re: Installation of openmx in ubuntu deniz 6 2736 2019/10/25 11:06 by Naoya Yamaguchi SOLVED Bug on JX with Energy.Decomposition ON Jhon W. Gonzalez 2 1225 2019/10/20 11:04 by Jhon W. Gonzalez (Maybe) fixing Vdw-d3(bj) Jhon W. Gonzalez 3 2381 2019/10/16 13:41 by T. Ozaki A sharing package for new version (2019) of PAO and VPS Kylin 0 1272 2019/10/06 09:25 by Kylin stress calculation Hoi 1 1180 2019/09/21 11:35 by T. Ozaki DFT+SOC --- bandgnu13 generates only BANDDAT1 file. Maedeh 4 1639 2019/09/20 23:42 by Maedeh nan error in optimization of Fe doped Arm chair graphene nano ribbon Lovleen Kaur 1 1164 2019/09/19 11:02 by Jhon W. Gonzalez Nose-Hoover heat bath mass Pavel Ondracka 1 1629 2019/09/16 12:49 by Naoya Yamaguchi Compiling Jx executable in ubuntu Altan 4 1406 2019/09/09 17:17 by Altan orbital contributions of exchange coupling parameters Bin Shao 2 1428 2019/09/04 11:28 by Hongkee Yoon Solvent model Lovleen Kaur 0 1052 2019/09/02 18:22 by Lovleen Kaur Understanding exchange coupling parameter calculation Jhon W. Gonzalez 0 1217 2019/08/30 07:26 by Jhon W. Gonzalez optimization lattice constants of charged single layer 2d metallic materials Bin Shao 0 1116 2019/08/27 14:03 by Bin Shao Vdw-d3(bj) for 'band' calculation Nikolai 3 1288 2019/08/25 05:51 by Jhon W. Gonzalez

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