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List of Threads Topics Author Replies Views Last Modified Openmx and mobilities and effective masses Mosahhar 1 491 2016/06/05 11:25 by T. Ozaki units in the band plots PR 1 565 2016/06/05 11:22 by T. Ozaki Using openmx with external pseudopotentials Daniil 13 957 2016/06/05 00:11 by Daniil Errors in installation of OpenMx3.7 and OpenMx3.8 Hawson 5 1032 2016/05/19 14:52 by T. Ozaki How to calculate LaMnO3? Hiroya Nakata 5 693 2016/05/17 23:12 by hiroya Question about Geometry Optimization Eike F. Schwier 5 1372 2016/05/16 19:35 by Eike F. Schwier gcc: error Asadolla 2 753 2016/05/11 14:32 by asad Release of OpenMX Ver. 3.8 T. Ozaki 5 1022 2016/05/06 10:56 by Mitsuaki Kawamura Include spin orbit coupling but turn off magnetism Hung-Yu Yang 4 749 2016/04/27 21:51 by Hung-Yu Yang NPT molecular dynamics Wei Lai 1 514 2016/04/20 19:06 by T. Ozaki Compilation error version 3.8 Mauro Sgroi 2 764 2016/04/19 18:23 by Mauro Sgroi bug in the ESM module Yun-Peng Wang 1 3424 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 3 696 2016/04/08 18:29 by T. Ozaki First Installation Error of Openmx-3.8 Riemann 2 717 2016/04/05 05:49 by Riemann Strangely Small Spin Moment in Material with Strong SOC Keenan 1 595 2016/04/03 20:15 by T. Ozaki Polarization by Berry's phase Guilherme Maia 2 639 2016/03/29 02:19 by Guilherme Maia How to unify optimized PAO files? Yi Wang 2 663 2016/03/15 16:16 by Yi Wang Convergence problem for NEGF self consistent loop of Fe/MgO/Fe system Hiroshi Tsukahara 2 974 2016/03/15 13:56 by T.Ozaki how to know about stable structure sanjeev 1 633 2016/03/15 13:35 by T.Ozaki Young’s modulus smart 1 580 2016/03/15 13:28 by T.Ozaki Transport calculation not converging Samuel 2 738 2016/03/10 18:56 by Artem Pulkin OpenMx's Method of Avoiding Local Trap of Spin Configuration Jong Hyun Jung 1 648 2016/02/17 16:27 by Jong Hyun Jung K-dependent Eigenstate Riemann 2 630 2016/02/12 01:55 by Riemann Calculating PDOS Seungjin Kang 1 623 2016/02/05 19:50 by Artem Pulkin Quantization axis for Wannier function? Seungjin Kang 1 479 2016/01/18 20:51 by Artem Pulkin error installation openMx version 3.6 Moh. Adhib Ulil Abso 0 860 2015/12/18 12:57 by Moh. Adhib Ulil Abso How to calculate scf of BaTiO3 ? Dr.Luo 2 782 2015/12/18 00:37 by Bingcheng Luo Can OpenMX do geometry and lattice optimization simultaneously? Yang Jin-Hoon 2 743 2015/12/10 21:27 by Yang Jin-Hoon NEGF and band gap derek 1 701 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 3 778 2015/12/09 21:03 by Artem Pulkin runtestL Problem Takeshi Mizuno 0 558 2015/12/07 18:24 by Takeshi Mizuno Berry curvature zl 0 629 2015/12/07 12:55 by zl Berry curvature and anomalous Hall conductivity L. Zhu 0 550 2015/12/06 19:17 by L. Zhu gnuplot produces no plot Barati 1 586 2015/11/29 20:44 by duan magnetic field calculation hui fu 2 842 2015/11/24 20:58 by Eike F. Schwier mpirun error Barati 0 648 2015/11/23 03:16 by Barati bandgnu13.c compilation error (2) Barati 0 526 2015/11/22 04:12 by Barati openmx3.7 installation error Haider Abbas 5 1843 2015/11/22 00:08 by Barati executing error, band dispersion problem Barati 6 720 2015/11/14 19:17 by Barati student Yi Wang 3 668 2015/11/14 16:05 by Yi Wang parallel running error duan 2 3475 2015/11/08 18:38 by marcindulak openmx-3.7.10 incompatible with elpa-2015.02.002 marcindulak 0 718 2015/11/07 22:03 by marcindulak magnetic property of zigzag MoS2 nanoribbon Will 7 831 2015/11/07 00:35 by Artem Pulkin Semi-local PP Nikolai 0 601 2015/11/05 20:23 by Nikolai Sign of force difference between *.out and *.md sung mo Kang 0 679 2015/11/05 15:00 by sung mo Kang Is an output wave function Bloch? M. Yamada 3 859 2015/10/18 00:35 by M. Yamada NEGF convergence Artem Pulkin 0 729 2015/10/02 18:28 by Artem Pulkin View details for molecular dynamics Vasiliy St 0 581 2015/09/28 15:19 by Vasiliy St Difficult to get converge in spin polarized NEGF calculation Pang 0 719 2015/09/17 01:54 by Pang Crystal Relaxation under Pressure Khalid 0 730 2015/08/23 00:06 by Khalid

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