OpenMX Forum

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

List of Threads Topics Author Replies Views Last Modified Numerical error of force and total energy by the Gauss-Legendre quadrature in Total_Energy.c A. M. Ito 2 2083 2012/12/28 13:41 by A. M. Ito Installation error on Fedora 17 Wang daobin 1 2929 2012/12/28 07:03 by Surender pseudopotentials for Lanthanide Fraser 0 1028 2012/12/20 13:55 by Fraser computations of adsorption of NO on TiO2 marzi 0 1315 2012/12/02 19:24 by marzi Fe/MgO/Fe calculation Kamaram Munira 0 1729 2012/12/01 00:55 by Kamaram Munira Problems with convergence Jan Rusz 3 2004 2012/11/30 22:54 by Jan Rusz Transport calculation in Fe-MgO-Fe system, LEFT lead cannot be superposed on the original cell Kamaram 0 1587 2012/11/27 02:24 by Kamaram Node in Be 2s wavefunction Dario Mitnik 0 1087 2012/11/22 23:48 by Dario Mitnik problem with 'Automatic Running Test" Surender 1 2462 2012/11/12 23:21 by 10412009 Input file creation for my molecules kannan 0 1028 2012/11/07 05:53 by kannan Input file for Bismuth Mehmood 0 1071 2012/11/06 21:54 by Mehmood Error: TRAN_Calc_SurfGreen in NEGF calculation jahanbin 0 1070 2012/11/05 15:52 by jahanbin Force on the nucleus of an atom under the external electric field H 2 1341 2012/10/29 01:41 by H Problem with Copper hard pseudopotential Alfonso 2 1545 2012/10/20 00:52 by Alfonso overlap probleme in negf calculations Jahanbin 0 1306 2012/10/15 04:36 by Jahanbin Installation problem Nourdine 12 7269 2012/09/27 11:31 by Anant NEGF calculation using restart P 0 1192 2012/09/25 01:59 by P Pseudopotential vps file Kwangwoo 2 1220 2012/09/24 16:47 by Kwangwoo How to calculate <Sx>, <Sy> and <Sz> with Open-Mx Jos&#233; Eduardo Padilha 1 4060 2012/09/23 18:33 by T.Ozaki erro: NEGF calculation with different right and left lead wang 1 1704 2012/09/23 17:00 by wang band structure of YN IDRIS 1 1523 2012/09/11 07:28 by T.Ozaki GaAs DOS Dariusz Chrobak 4 1917 2012/09/10 23:55 by T.Ozaki Gate voltage reference for NEGF transport calculations P 2 1547 2012/09/10 21:29 by P same PAOs Julio Aguiar 4 1365 2012/09/03 23:59 by Julio Aguiar Silicon cd force calculations Dariusz Chrobak 2 2324 2012/08/29 18:34 by Dariusz Chrobak installation with openmpi sanjeev 1 1178 2012/08/28 17:44 by T. Ozaki Unit using in exchange coupling parameter Pui-Wai Ma 1 117 2012/08/28 17:42 by T. Ozaki scf.Kgrid Vikas Sharma 1 2002 2012/08/28 16:20 by T.Ozaki Some question about small cluster calculations sanjeev 1 1586 2012/08/28 16:16 by T.Ozaki Ca lattice constant Sang 2 2326 2012/07/29 06:22 by Sang Large Dipole Moment Somesh Bhattacharya 2 1591 2012/07/25 13:55 by Somesh Bhattacharya Post complilation problem Mosahhar 2 1622 2012/07/25 05:51 by Mosahhar Calculation time Dmitry 1 1472 2012/07/25 00:51 by T.Ozaki The exact meaning of the natn array Konstantin Khromov 1 1144 2012/07/21 09:40 by T.Ozaki NEGF Lida 1 1329 2012/07/21 09:31 by T.Ozaki Log. derivs fail to converge in ADPACK Grigory Shamov 1 1272 2012/07/21 09:29 by T.Ozaki Tips on Compilation of OpenMX in POWER7 machines T.Ohwaki 0 1659 2012/07/05 11:58 by T.Ohwaki Murnaghan equation fit code question Ryan 1 2196 2012/07/03 13:29 by Anita openmx testrun results marius 5 2689 2012/07/02 15:37 by Somesh Bhattacharya What states of the d-orbitals correspond to the numbers (d1〜5) in output files? Yasutaka Nishida 2 2370 2012/06/06 13:07 by Yasutaka Nishida Correction of manual (ESM method) T.Ohwaki 0 1236 2012/05/24 16:56 by T.Ohwaki About platform. mt 2 1707 2012/05/19 20:35 by Mohamed Khalfallah restart of NEGF step marius 0 1246 2012/04/11 19:28 by marius How to Write Wavefunction zhe 1 1726 2012/04/03 21:26 by T. Ozaki how to calculate the equilibrium lattice constants (New to OPENMX) Raf 1 1854 2012/03/30 14:59 by JH Parq Problems with Transport Calculation Tamal Goswami 6 2551 2012/03/28 22:28 by Tamal Goswami ADPAC 2.2 vs 2.2 input differences? Grigory Shamov 3 1869 2012/03/24 03:00 by Grigory Shamov Calculation of magnetic anisotropy jlrch 1 2089 2012/03/23 08:35 by T. Ozaki A question about Restart files Kun Jiang 1 1238 2012/03/23 08:30 by T. Ozaki electrostatic Potential Dan 1 1225 2012/03/23 08:27 by T. Ozaki

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

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

- Web Patio -