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List of Threads Topics Author Replies Views Last Modified Producing desired spin state Tamal Goswami 0 1193 2013/02/27 17:40 by Tamal Goswami Convergence issue of CoFe/MgO/CoFe sytem (MTJ) H.Park 0 2021 2013/02/25 15:45 by H.Park Basis vectors of Heusler alloy idu 2 1650 2013/02/06 21:11 by idu Energy of Fermi, HOMO and LUMO zhe 0 1485 2013/01/18 23:36 by zhe Memory problem? pesonkr 0 1536 2013/01/18 12:24 by pesonkr optical conductivity Pavel Serba 3 1771 2013/01/12 02:52 by PavelSerba Zero Point Energy (ZPE) correction Nima 0 1586 2013/01/11 02:53 by Nima installation Zahra 1 2367 2013/01/10 20:25 by surender Numerical error of force and total energy by the Gauss-Legendre quadrature in Total_Energy.c A. M. Ito 2 2252 2012/12/28 13:41 by A. M. Ito Installation error on Fedora 17 Wang daobin 1 3126 2012/12/28 07:03 by Surender pseudopotentials for Lanthanide Fraser 0 1144 2012/12/20 13:55 by Fraser computations of adsorption of NO on TiO2 marzi 0 1522 2012/12/02 19:24 by marzi Fe/MgO/Fe calculation Kamaram Munira 0 1868 2012/12/01 00:55 by Kamaram Munira Problems with convergence Jan Rusz 3 2205 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 1725 2012/11/27 02:24 by Kamaram Node in Be 2s wavefunction Dario Mitnik 0 1212 2012/11/22 23:48 by Dario Mitnik problem with 'Automatic Running Test" Surender 1 2609 2012/11/12 23:21 by 10412009 Input file creation for my molecules kannan 0 1139 2012/11/07 05:53 by kannan Input file for Bismuth Mehmood 0 1186 2012/11/06 21:54 by Mehmood Error: TRAN_Calc_SurfGreen in NEGF calculation jahanbin 0 1183 2012/11/05 15:52 by jahanbin Force on the nucleus of an atom under the external electric field H 2 1469 2012/10/29 01:41 by H Problem with Copper hard pseudopotential Alfonso 2 1668 2012/10/20 00:52 by Alfonso overlap probleme in negf calculations Jahanbin 0 1454 2012/10/15 04:36 by Jahanbin Installation problem Nourdine 12 7756 2012/09/27 11:31 by Anant NEGF calculation using restart P 0 1337 2012/09/25 01:59 by P Pseudopotential vps file Kwangwoo 2 1360 2012/09/24 16:47 by Kwangwoo How to calculate <Sx>, <Sy> and <Sz> with Open-Mx Jos&#233; Eduardo Padilha 1 4773 2012/09/23 18:33 by T.Ozaki erro: NEGF calculation with different right and left lead wang 1 1863 2012/09/23 17:00 by wang band structure of YN IDRIS 1 1648 2012/09/11 07:28 by T.Ozaki GaAs DOS Dariusz Chrobak 4 2113 2012/09/10 23:55 by T.Ozaki Gate voltage reference for NEGF transport calculations P 2 1689 2012/09/10 21:29 by P same PAOs Julio Aguiar 4 1494 2012/09/03 23:59 by Julio Aguiar Silicon cd force calculations Dariusz Chrobak 2 2441 2012/08/29 18:34 by Dariusz Chrobak installation with openmpi sanjeev 1 1298 2012/08/28 17:44 by T. Ozaki Unit using in exchange coupling parameter Pui-Wai Ma 1 360 2012/08/28 17:42 by T. Ozaki scf.Kgrid Vikas Sharma 1 2197 2012/08/28 16:20 by T.Ozaki Some question about small cluster calculations sanjeev 1 1711 2012/08/28 16:16 by T.Ozaki Ca lattice constant Sang 2 2464 2012/07/29 06:22 by Sang Large Dipole Moment Somesh Bhattacharya 2 1740 2012/07/25 13:55 by Somesh Bhattacharya Post complilation problem Mosahhar 2 1748 2012/07/25 05:51 by Mosahhar Calculation time Dmitry 1 1596 2012/07/25 00:51 by T.Ozaki The exact meaning of the natn array Konstantin Khromov 1 1261 2012/07/21 09:40 by T.Ozaki NEGF Lida 1 1481 2012/07/21 09:31 by T.Ozaki Log. derivs fail to converge in ADPACK Grigory Shamov 1 1385 2012/07/21 09:29 by T.Ozaki Tips on Compilation of OpenMX in POWER7 machines T.Ohwaki 0 1766 2012/07/05 11:58 by T.Ohwaki Murnaghan equation fit code question Ryan 1 2338 2012/07/03 13:29 by Anita openmx testrun results marius 5 2868 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 2568 2012/06/06 13:07 by Yasutaka Nishida Correction of manual (ESM method) T.Ohwaki 0 1355 2012/05/24 16:56 by T.Ohwaki About platform. mt 2 1831 2012/05/19 20:35 by Mohamed Khalfallah

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