OpenMX Forum

New Thread | Return Home | Points of Concern | Search | Past Log | Administration

List of Threads Topics Author Replies Views Last Modified how to know about stable structure sanjeev 1 803 2016/03/15 13:35 by T.Ozaki Young’s modulus smart 1 733 2016/03/15 13:28 by T.Ozaki Transport calculation not converging Samuel 2 929 2016/03/10 18:56 by Artem Pulkin OpenMx's Method of Avoiding Local Trap of Spin Configuration Jong Hyun Jung 1 795 2016/02/17 16:27 by Jong Hyun Jung K-dependent Eigenstate Riemann 2 810 2016/02/12 01:55 by Riemann Calculating PDOS Seungjin Kang 1 793 2016/02/05 19:50 by Artem Pulkin Quantization axis for Wannier function? Seungjin Kang 1 628 2016/01/18 20:51 by Artem Pulkin error installation openMx version 3.6 Moh. Adhib Ulil Abso 0 1102 2015/12/18 12:57 by Moh. Adhib Ulil Abso How to calculate scf of BaTiO3 ? Dr.Luo 2 983 2015/12/18 00:37 by Bingcheng Luo Can OpenMX do geometry and lattice optimization simultaneously? Yang Jin-Hoon 2 1042 2015/12/10 21:27 by Yang Jin-Hoon NEGF and band gap derek 1 847 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 1031 2015/12/09 21:03 by Artem Pulkin runtestL Problem Takeshi Mizuno 0 702 2015/12/07 18:24 by Takeshi Mizuno Berry curvature zl 0 795 2015/12/07 12:55 by zl Berry curvature and anomalous Hall conductivity L. Zhu 0 680 2015/12/06 19:17 by L. Zhu gnuplot produces no plot Barati 1 740 2015/11/29 20:44 by duan magnetic field calculation hui fu 2 1024 2015/11/24 20:58 by Eike F. Schwier mpirun error Barati 0 799 2015/11/23 03:16 by Barati bandgnu13.c compilation error (2) Barati 0 667 2015/11/22 04:12 by Barati openmx3.7 installation error Haider Abbas 5 2190 2015/11/22 00:08 by Barati executing error, band dispersion problem Barati 6 923 2015/11/14 19:17 by Barati student Yi Wang 3 797 2015/11/14 16:05 by Yi Wang parallel running error duan 2 3674 2015/11/08 18:38 by marcindulak openmx-3.7.10 incompatible with elpa-2015.02.002 marcindulak 0 866 2015/11/07 22:03 by marcindulak magnetic property of zigzag MoS2 nanoribbon Will 7 1031 2015/11/07 00:35 by Artem Pulkin Semi-local PP Nikolai 0 744 2015/11/05 20:23 by Nikolai Sign of force difference between *.out and *.md sung mo Kang 0 818 2015/11/05 15:00 by sung mo Kang Is an output wave function Bloch? M. Yamada 3 1022 2015/10/18 00:35 by M. Yamada NEGF convergence Artem Pulkin 0 906 2015/10/02 18:28 by Artem Pulkin View details for molecular dynamics Vasiliy St 0 733 2015/09/28 15:19 by Vasiliy St Difficult to get converge in spin polarized NEGF calculation Pang 0 900 2015/09/17 01:54 by Pang Crystal Relaxation under Pressure Khalid 0 918 2015/08/23 00:06 by Khalid Keep getting errors for NEGF calculation - Leads setting and warning of energy steps Kuan Zhou 2 1205 2015/08/21 15:57 by Qurat Any way to specify the energy range of LCAO coefficient output? Seungjin Kang 1 882 2015/08/14 18:38 by Artem Pulkin number of bands and number of k-points khalid 2 971 2015/08/08 23:36 by Khalid NEGF in Graphene Khalid 2 1135 2015/08/08 23:34 by Khalid LCAO coefficients Eike F. Schwier 6 5114 2015/08/07 12:41 by T. Ozaki Order N methods for NEGF calculation KZ 1 945 2015/08/06 11:28 by T. Ozaki Problem with NEB restart and with specifying path Mauro Sgroi 1 1022 2015/08/06 10:40 by T. Ozaki Keep getting Segmentation fault for large NEGF calculations KZ 1 910 2015/08/06 10:36 by T. Ozaki Molecular dynamics for charged paricles of ionic electrolytes A. Chow 1 2224 2015/08/06 10:28 by T. Ozaki Geometry optimization using Krylov subspace method LK 1 865 2015/08/06 10:18 by T. Ozaki Bulk transport system Khalid 4 4193 2015/07/07 02:51 by Khalid Some questions about transport khalid 2 1126 2015/06/24 17:05 by khalid O(N) Calculations for Cases with Spin Orbit Coupling KZ 5 2772 2015/06/24 10:33 by KZ *.sden.cube Riemann 2 938 2015/06/16 17:06 by Riemann Regarding error in results of NEGF calculation KZ 4 1183 2015/06/14 13:32 by KZ TranMain boshra 1 2515 2015/06/13 19:06 by Riemann Diagonal terms in overlap matrix not equalled to 1 KZ 10 1231 2015/06/12 19:15 by Artem Pulkin PAV in Openmx? Giovanni 1 1146 2015/06/09 23:32 by Artem Pulkin

Page: [1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [13] [14] [15] [16] [17] [18] [19] [20] [21]

Open Thread    Locked Thread    Alarm（More than 90 replies）   Message from Administrator

- Web Patio -