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List of Threads Topics Author Replies Views Last Modified bug in the ESM module Yun-Peng Wang 1 3714 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 3 996 2016/04/08 18:29 by T. Ozaki First Installation Error of Openmx-3.8 Riemann 2 1199 2016/04/05 05:49 by Riemann Strangely Small Spin Moment in Material with Strong SOC Keenan 1 904 2016/04/03 20:15 by T. Ozaki Polarization by Berry's phase Guilherme Maia 2 947 2016/03/29 02:19 by Guilherme Maia How to unify optimized PAO files? Yi Wang 2 914 2016/03/15 16:16 by Yi Wang Convergence problem for NEGF self consistent loop of Fe/MgO/Fe system Hiroshi Tsukahara 2 1372 2016/03/15 13:56 by T.Ozaki how to know about stable structure sanjeev 1 924 2016/03/15 13:35 by T.Ozaki Young’s modulus smart 1 856 2016/03/15 13:28 by T.Ozaki Transport calculation not converging Samuel 2 1056 2016/03/10 18:56 by Artem Pulkin OpenMx's Method of Avoiding Local Trap of Spin Configuration Jong Hyun Jung 1 921 2016/02/17 16:27 by Jong Hyun Jung K-dependent Eigenstate Riemann 2 947 2016/02/12 01:55 by Riemann Calculating PDOS Seungjin Kang 1 918 2016/02/05 19:50 by Artem Pulkin Quantization axis for Wannier function? Seungjin Kang 1 756 2016/01/18 20:51 by Artem Pulkin error installation openMx version 3.6 Moh. Adhib Ulil Abso 0 1230 2015/12/18 12:57 by Moh. Adhib Ulil Abso How to calculate scf of BaTiO3 ? Dr.Luo 2 1103 2015/12/18 00:37 by Bingcheng Luo Can OpenMX do geometry and lattice optimization simultaneously? Yang Jin-Hoon 2 1214 2015/12/10 21:27 by Yang Jin-Hoon NEGF and band gap derek 1 957 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 1172 2015/12/09 21:03 by Artem Pulkin runtestL Problem Takeshi Mizuno 0 826 2015/12/07 18:24 by Takeshi Mizuno Berry curvature zl 0 941 2015/12/07 12:55 by zl Berry curvature and anomalous Hall conductivity L. Zhu 0 818 2015/12/06 19:17 by L. Zhu gnuplot produces no plot Barati 1 856 2015/11/29 20:44 by duan magnetic field calculation hui fu 2 1160 2015/11/24 20:58 by Eike F. Schwier mpirun error Barati 0 917 2015/11/23 03:16 by Barati bandgnu13.c compilation error (2) Barati 0 777 2015/11/22 04:12 by Barati openmx3.7 installation error Haider Abbas 5 2439 2015/11/22 00:08 by Barati executing error, band dispersion problem Barati 6 1064 2015/11/14 19:17 by Barati student Yi Wang 3 920 2015/11/14 16:05 by Yi Wang parallel running error duan 2 3810 2015/11/08 18:38 by marcindulak openmx-3.7.10 incompatible with elpa-2015.02.002 marcindulak 0 1000 2015/11/07 22:03 by marcindulak magnetic property of zigzag MoS2 nanoribbon Will 7 1166 2015/11/07 00:35 by Artem Pulkin Semi-local PP Nikolai 0 850 2015/11/05 20:23 by Nikolai Sign of force difference between *.out and *.md sung mo Kang 0 925 2015/11/05 15:00 by sung mo Kang Is an output wave function Bloch? M. Yamada 3 1144 2015/10/18 00:35 by M. Yamada NEGF convergence Artem Pulkin 0 1032 2015/10/02 18:28 by Artem Pulkin View details for molecular dynamics Vasiliy St 0 867 2015/09/28 15:19 by Vasiliy St Difficult to get converge in spin polarized NEGF calculation Pang 0 1014 2015/09/17 01:54 by Pang Crystal Relaxation under Pressure Khalid 0 1048 2015/08/23 00:06 by Khalid Keep getting errors for NEGF calculation - Leads setting and warning of energy steps Kuan Zhou 2 1331 2015/08/21 15:57 by Qurat Any way to specify the energy range of LCAO coefficient output? Seungjin Kang 1 984 2015/08/14 18:38 by Artem Pulkin number of bands and number of k-points khalid 2 1100 2015/08/08 23:36 by Khalid NEGF in Graphene Khalid 2 1245 2015/08/08 23:34 by Khalid LCAO coefficients Eike F. Schwier 6 5358 2015/08/07 12:41 by T. Ozaki Order N methods for NEGF calculation KZ 1 1065 2015/08/06 11:28 by T. Ozaki Problem with NEB restart and with specifying path Mauro Sgroi 1 1159 2015/08/06 10:40 by T. Ozaki Keep getting Segmentation fault for large NEGF calculations KZ 1 1024 2015/08/06 10:36 by T. Ozaki Molecular dynamics for charged paricles of ionic electrolytes A. Chow 1 2368 2015/08/06 10:28 by T. Ozaki Geometry optimization using Krylov subspace method LK 1 975 2015/08/06 10:18 by T. Ozaki Bulk transport system Khalid 4 4324 2015/07/07 02:51 by Khalid

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