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List of Threads Topics Author Replies Views Last Modified is this Natural bond orbital (NBO) analysis for large-scale DFT calculation implemented in OpenMX3.8 Linus.Xing 1 761 2016/06/23 13:39 by T. Ozaki Exchange field Riemann 1 774 2016/06/23 13:37 by T. Ozaki Different values for the Polarization for the same system!! Guilherme Maia 1 760 2016/06/23 13:21 by T. Ozaki graphen Smart 3 2179 2016/06/13 11:47 by Jane The question about the output file of System.Name.md Xiangyang Peng 4 798 2016/06/08 01:10 by Xiangyang Peng Openmx and mobilities and effective masses Mosahhar 1 665 2016/06/05 11:25 by T. Ozaki units in the band plots PR 1 736 2016/06/05 11:22 by T. Ozaki Using openmx with external pseudopotentials Daniil 13 1338 2016/06/05 00:11 by Daniil Errors in installation of OpenMx3.7 and OpenMx3.8 Hawson 5 1534 2016/05/19 14:52 by T. Ozaki How to calculate LaMnO3? Hiroya Nakata 5 889 2016/05/17 23:12 by hiroya Question about Geometry Optimization Eike F. Schwier 5 1681 2016/05/16 19:35 by Eike F. Schwier gcc: error Asadolla 2 1049 2016/05/11 14:32 by asad Release of OpenMX Ver. 3.8 T. Ozaki 5 1278 2016/05/06 10:56 by Mitsuaki Kawamura Include spin orbit coupling but turn off magnetism Hung-Yu Yang 4 1237 2016/04/27 21:51 by Hung-Yu Yang NPT molecular dynamics Wei Lai 1 713 2016/04/20 19:06 by T. Ozaki Compilation error version 3.8 Mauro Sgroi 2 1007 2016/04/19 18:23 by Mauro Sgroi bug in the ESM module Yun-Peng Wang 1 3631 2016/04/15 14:08 by T. Ohwaki why the change in result for the transport calculation for negf-8zgnr-0.3 when done with openmx3.5 Pavan choudary 3 897 2016/04/08 18:29 by T. Ozaki First Installation Error of Openmx-3.8 Riemann 2 1075 2016/04/05 05:49 by Riemann Strangely Small Spin Moment in Material with Strong SOC Keenan 1 806 2016/04/03 20:15 by T. Ozaki Polarization by Berry's phase Guilherme Maia 2 844 2016/03/29 02:19 by Guilherme Maia How to unify optimized PAO files? Yi Wang 2 830 2016/03/15 16:16 by Yi Wang Convergence problem for NEGF self consistent loop of Fe/MgO/Fe system Hiroshi Tsukahara 2 1239 2016/03/15 13:56 by T.Ozaki how to know about stable structure sanjeev 1 824 2016/03/15 13:35 by T.Ozaki Young’s modulus smart 1 758 2016/03/15 13:28 by T.Ozaki Transport calculation not converging Samuel 2 958 2016/03/10 18:56 by Artem Pulkin OpenMx's Method of Avoiding Local Trap of Spin Configuration Jong Hyun Jung 1 821 2016/02/17 16:27 by Jong Hyun Jung K-dependent Eigenstate Riemann 2 845 2016/02/12 01:55 by Riemann Calculating PDOS Seungjin Kang 1 820 2016/02/05 19:50 by Artem Pulkin Quantization axis for Wannier function? Seungjin Kang 1 654 2016/01/18 20:51 by Artem Pulkin error installation openMx version 3.6 Moh. Adhib Ulil Abso 0 1133 2015/12/18 12:57 by Moh. Adhib Ulil Abso How to calculate scf of BaTiO3 ? Dr.Luo 2 1004 2015/12/18 00:37 by Bingcheng Luo Can OpenMX do geometry and lattice optimization simultaneously? Yang Jin-Hoon 2 1072 2015/12/10 21:27 by Yang Jin-Hoon NEGF and band gap derek 1 871 2015/12/09 21:26 by Artem Pulkin The LEFT lead cannot be superposed on the original cell even after the translation. Check your atomi Richard Overstreet 3 1061 2015/12/09 21:03 by Artem Pulkin runtestL Problem Takeshi Mizuno 0 732 2015/12/07 18:24 by Takeshi Mizuno Berry curvature zl 0 826 2015/12/07 12:55 by zl Berry curvature and anomalous Hall conductivity L. Zhu 0 710 2015/12/06 19:17 by L. Zhu gnuplot produces no plot Barati 1 767 2015/11/29 20:44 by duan magnetic field calculation hui fu 2 1058 2015/11/24 20:58 by Eike F. Schwier mpirun error Barati 0 826 2015/11/23 03:16 by Barati bandgnu13.c compilation error (2) Barati 0 694 2015/11/22 04:12 by Barati openmx3.7 installation error Haider Abbas 5 2252 2015/11/22 00:08 by Barati executing error, band dispersion problem Barati 6 949 2015/11/14 19:17 by Barati student Yi Wang 3 818 2015/11/14 16:05 by Yi Wang parallel running error duan 2 3705 2015/11/08 18:38 by marcindulak openmx-3.7.10 incompatible with elpa-2015.02.002 marcindulak 0 896 2015/11/07 22:03 by marcindulak magnetic property of zigzag MoS2 nanoribbon Will 7 1063 2015/11/07 00:35 by Artem Pulkin Semi-local PP Nikolai 0 764 2015/11/05 20:23 by Nikolai Sign of force difference between *.out and *.md sung mo Kang 0 843 2015/11/05 15:00 by sung mo Kang

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