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List of Threads Topics Author Replies Views Last Modified Higher Bond length of Arsenous acid Lovleen Kaur 2 1068 2019/12/18 18:20 by T. Ozaki which paramiter can control the maximum step? Liu Jie 10 924 2019/12/18 12:01 by Liu Jie pseudopotentials for ions M Chen 2 1144 2019/12/17 16:35 by Chen How to obtain the initial charge? Liu Jie 1 816 2019/12/16 23:19 by T. Ozaki Error when Installing 3.9 version kmaz 1 903 2019/12/11 22:53 by Mitsuaki Kawamura Release of OpenMX Ver 3.9 T. Ozaki 2 958 2019/12/11 21:33 by T. Ozaki NEGF calculations converge to unphysical results when 2 leads are different Maxim Visotin 3 1206 2019/11/25 22:02 by Artem Pulkin compiler error for Intel Compilers and MKL Library zhiying guo 1 796 2019/11/23 14:56 by Naoya Yamaguchi Re: Installation of openmx in ubuntu deniz 6 2210 2019/10/25 11:06 by Naoya Yamaguchi SOLVED Bug on JX with Energy.Decomposition ON Jhon W. Gonzalez 2 955 2019/10/20 11:04 by Jhon W. Gonzalez (Maybe) fixing Vdw-d3(bj) Jhon W. Gonzalez 3 1983 2019/10/16 13:41 by T. Ozaki A sharing package for new version (2019) of PAO and VPS Kylin 0 978 2019/10/06 09:25 by Kylin stress calculation Hoi 1 923 2019/09/21 11:35 by T. Ozaki DFT+SOC --- bandgnu13 generates only BANDDAT1 file. Maedeh 4 1260 2019/09/20 23:42 by Maedeh nan error in optimization of Fe doped Arm chair graphene nano ribbon Lovleen Kaur 1 908 2019/09/19 11:02 by Jhon W. Gonzalez Nose-Hoover heat bath mass Pavel Ondracka 1 1288 2019/09/16 12:49 by Naoya Yamaguchi Compiling Jx executable in ubuntu Altan 4 1120 2019/09/09 17:17 by Altan orbital contributions of exchange coupling parameters Bin Shao 2 1130 2019/09/04 11:28 by Hongkee Yoon Solvent model Lovleen Kaur 0 806 2019/09/02 18:22 by Lovleen Kaur Understanding exchange coupling parameter calculation Jhon W. Gonzalez 0 919 2019/08/30 07:26 by Jhon W. Gonzalez optimization lattice constants of charged single layer 2d metallic materials Bin Shao 0 873 2019/08/27 14:03 by Bin Shao Vdw-d3(bj) for 'band' calculation Nikolai 3 1033 2019/08/25 05:51 by Jhon W. Gonzalez Mismatch DOS with conductance profile Devanand 2 800 2019/08/23 15:50 by Naoya Yamaguchi How can we get the I-V curves with openmx Ryoehi Nishioka 2 1059 2019/08/22 16:17 by Ryoehi Nishioka How to normalize charge density calculated from HOMO-LUMO Eike F. Schwier 7 1543 2019/08/21 20:07 by Eike F. Schwier Very high noise and stoping calculation Douglas 0 756 2019/08/16 21:51 by Douglas convergence problem (the last thread can not display correctly) Bin Shao 3 1044 2019/08/07 14:22 by Naoya Yamaguchi convergence problem Bin Shao 0 810 2019/07/25 17:09 by Bin Shao inconsistent magnetic solutions of bcc Fe Bin Shao 2 880 2019/07/24 17:51 by Bin Shao NEB Optimization Reza 1 820 2019/07/23 17:31 by Naoya Yamaguchi Questions about the magnetic moment in NEGF calculations H Y ZHOU 0 861 2019/07/17 21:46 by H Y ZHOU Negative charge on Al in Al-doped AGNR Lovleen Kaur 1 978 2019/07/14 02:31 by Yung-Ting Lee NEB Question Reza 0 863 2019/07/05 00:31 by Reza charge density Alisa 2 1137 2019/07/03 16:58 by Yung-Ting The problem difference charge density Alisa 6 1393 2019/06/28 10:40 by Alisa Elastic Constant of Cu - 6.0Hs3p3d3 C. Pashartis 2 1012 2019/06/21 20:14 by C. Pashartis NEB output file Reza 0 777 2019/06/21 15:49 by Reza Error in installation M.S 3 2656 2019/06/15 06:44 by deniz Hamiltonian matrix file Maedeh 5 1653 2019/06/08 05:12 by Maedeh Questions about functionals Aleksey 0 1025 2019/06/06 20:57 by Aleksey Some Suggestions about new version Reza 1 1124 2019/05/30 05:57 by Po-Hao Chang Installation of OpenMX in IUAC cluster server Vicky 14 1324 2019/05/30 02:54 by Naoya Yamaguchi Cell optimization with Krylov subspace method Pavel Ondračka 0 851 2019/05/28 20:18 by Pavel Ondračka GGA+U reza 0 972 2019/05/23 18:45 by reza convergence for ESM calculation with on4 in HfO2 Z Jiang 0 942 2019/05/18 06:40 by Z Jiang Zeeman term in the OpenMx is not working! Santu Baidya 3 993 2019/05/15 11:23 by Santu Baidya Memory Consumption Reza 3 871 2019/05/03 02:42 by Reza SCFOUT Error - Hamiltonian incorrectly saved for MD.Type Opt J. Chapman 11 1267 2019/04/04 01:29 by J. Chapman The problem of RF constrained optimization with patch 3.8.4 and 3.8.5 Alisa 4 1025 2019/03/27 00:40 by Naoya Yamaguchi installation error Haider Abbas 5 1230 2019/03/15 05:12 by Naoya Yamaguchi

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