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List of Threads Topics Author Replies Views Last Modified Berry curvature and anomalous Hall conductivity L. Zhu 0 609 2015/12/06 19:17 by L. Zhu gnuplot produces no plot Barati 1 652 2015/11/29 20:44 by duan magnetic field calculation hui fu 2 926 2015/11/24 20:58 by Eike F. Schwier mpirun error Barati 0 717 2015/11/23 03:16 by Barati bandgnu13.c compilation error (2) Barati 0 586 2015/11/22 04:12 by Barati openmx3.7 installation error Haider Abbas 5 1981 2015/11/22 00:08 by Barati executing error, band dispersion problem Barati 6 809 2015/11/14 19:17 by Barati student Yi Wang 3 728 2015/11/14 16:05 by Yi Wang parallel running error duan 2 3564 2015/11/08 18:38 by marcindulak openmx-3.7.10 incompatible with elpa-2015.02.002 marcindulak 0 778 2015/11/07 22:03 by marcindulak magnetic property of zigzag MoS2 nanoribbon Will 7 928 2015/11/07 00:35 by Artem Pulkin Semi-local PP Nikolai 0 663 2015/11/05 20:23 by Nikolai Sign of force difference between *.out and *.md sung mo Kang 0 748 2015/11/05 15:00 by sung mo Kang Is an output wave function Bloch? M. Yamada 3 935 2015/10/18 00:35 by M. Yamada NEGF convergence Artem Pulkin 0 813 2015/10/02 18:28 by Artem Pulkin View details for molecular dynamics Vasiliy St 0 648 2015/09/28 15:19 by Vasiliy St Difficult to get converge in spin polarized NEGF calculation Pang 0 802 2015/09/17 01:54 by Pang Crystal Relaxation under Pressure Khalid 0 810 2015/08/23 00:06 by Khalid Keep getting errors for NEGF calculation - Leads setting and warning of energy steps Kuan Zhou 2 1099 2015/08/21 15:57 by Qurat Any way to specify the energy range of LCAO coefficient output? Seungjin Kang 1 796 2015/08/14 18:38 by Artem Pulkin number of bands and number of k-points khalid 2 878 2015/08/08 23:36 by Khalid NEGF in Graphene Khalid 2 1049 2015/08/08 23:34 by Khalid LCAO coefficients Eike F. Schwier 6 4874 2015/08/07 12:41 by T. Ozaki Order N methods for NEGF calculation KZ 1 854 2015/08/06 11:28 by T. Ozaki Problem with NEB restart and with specifying path Mauro Sgroi 1 924 2015/08/06 10:40 by T. Ozaki Keep getting Segmentation fault for large NEGF calculations KZ 1 827 2015/08/06 10:36 by T. Ozaki Molecular dynamics for charged paricles of ionic electrolytes A. Chow 1 2124 2015/08/06 10:28 by T. Ozaki Geometry optimization using Krylov subspace method LK 1 779 2015/08/06 10:18 by T. Ozaki Bulk transport system Khalid 4 4075 2015/07/07 02:51 by Khalid Some questions about transport khalid 2 1042 2015/06/24 17:05 by khalid O(N) Calculations for Cases with Spin Orbit Coupling KZ 5 2603 2015/06/24 10:33 by KZ *.sden.cube Riemann 2 859 2015/06/16 17:06 by Riemann Regarding error in results of NEGF calculation KZ 4 1094 2015/06/14 13:32 by KZ TranMain boshra 1 2184 2015/06/13 19:06 by Riemann Diagonal terms in overlap matrix not equalled to 1 KZ 10 1106 2015/06/12 19:15 by Artem Pulkin PAV in Openmx? Giovanni 1 1037 2015/06/09 23:32 by Artem Pulkin How to generate a mixed pseudopotential PR 3 4228 2015/06/09 17:32 by T. Ozaki Unfolding band structure Eike F. Schwier 2 1244 2015/06/09 12:05 by Eike F. Schwier Charge density in .dden.cube Artem Pulkin 1 805 2015/06/08 15:04 by T. Ozaki Possible bug in restart file reading Aaron Thong 1 735 2015/06/04 18:11 by T. Ozaki Electrostatic Potential Giovanni 2 781 2015/05/26 21:33 by Giovanni problem of instalation youna 2 1009 2015/05/24 06:36 by youna Exchange parameter Rakesh Kar 0 865 2015/04/29 21:37 by Rakesh Kar Band Dispersion Problem Khalid Ibne Masood 3 876 2015/04/25 22:45 by PR Question about PAO cut radii and size of unit cells in NEGF calculation kzhoulatte 10 1710 2015/04/14 04:31 by kzhoulatte restart file error on EvsLC calculation. Seungjin 2 1093 2015/04/08 21:29 by Seungjin Confusion about the index in HS.fileout Hamiltonian kzhoulatte 7 986 2015/04/08 05:26 by kzhoulatte orbital coefficient ZT 3 853 2015/04/07 09:28 by T. Ozaki -Dnosse option and Krylov Lee, Sungjin 2 789 2015/04/06 20:22 by Lee, Sungjin real space hopping integral Riemann 1 1017 2015/04/06 18:39 by T. Ozaki

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