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List of Threads Topics Author Replies Views Last Modified Patch 3.7.1 to OpenMX Ver. 3.7 T. Ozaki 0 1258 2013/05/27 14:56 by T. Ozaki 2013 database for heavy elements James 1 1378 2013/05/24 20:47 by T. Ozaki Release of OpenMX Ver. 3.7 T. Ozaki 0 1097 2013/05/23 12:02 by T. Ozaki Exact exchange and hybrid functionals Mauro Sgroi 2 1501 2013/05/16 23:15 by Mauro Sgroi Can we specify the bias voltage applied to the left and right lead, respectively? Yasutaka Nishida 2 1781 2013/05/16 19:17 by Yasutaka Nishida How to compute the phonon dispersion by openmx T.Morshedloo 0 1601 2013/04/30 17:34 by T.Morshedloo segmentation fault during <logical truncation> Ruibin Liu 0 1169 2013/04/18 10:26 by Ruibin Liu question on FeO_NC.dat input file sanjeev 0 1473 2013/03/25 17:15 by sanjeev How to visualize charge density using Xcrysdens Joao Amaral 2 2948 2013/03/19 20:21 by Joao Amaral Energy convergence requirements Alfonso 0 1250 2013/03/15 23:52 by Alfonso Producing desired spin state Tamal Goswami 0 1262 2013/02/27 17:40 by Tamal Goswami Convergence issue of CoFe/MgO/CoFe sytem (MTJ) H.Park 0 2109 2013/02/25 15:45 by H.Park Basis vectors of Heusler alloy idu 2 1756 2013/02/06 21:11 by idu Energy of Fermi, HOMO and LUMO zhe 0 1573 2013/01/18 23:36 by zhe Memory problem? pesonkr 0 1628 2013/01/18 12:24 by pesonkr optical conductivity Pavel Serba 3 1861 2013/01/12 02:52 by PavelSerba Zero Point Energy (ZPE) correction Nima 0 1666 2013/01/11 02:53 by Nima installation Zahra 1 2462 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 2334 2012/12/28 13:41 by A. M. Ito Installation error on Fedora 17 Wang daobin 1 3255 2012/12/28 07:03 by Surender pseudopotentials for Lanthanide Fraser 0 1222 2012/12/20 13:55 by Fraser computations of adsorption of NO on TiO2 marzi 0 1634 2012/12/02 19:24 by marzi Fe/MgO/Fe calculation Kamaram Munira 0 1962 2012/12/01 00:55 by Kamaram Munira Problems with convergence Jan Rusz 3 2326 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 1826 2012/11/27 02:24 by Kamaram Node in Be 2s wavefunction Dario Mitnik 0 1287 2012/11/22 23:48 by Dario Mitnik problem with 'Automatic Running Test" Surender 1 2725 2012/11/12 23:21 by 10412009 Input file creation for my molecules kannan 0 1198 2012/11/07 05:53 by kannan Input file for Bismuth Mehmood 0 1275 2012/11/06 21:54 by Mehmood Error: TRAN_Calc_SurfGreen in NEGF calculation jahanbin 0 1252 2012/11/05 15:52 by jahanbin Force on the nucleus of an atom under the external electric field H 2 1564 2012/10/29 01:41 by H Problem with Copper hard pseudopotential Alfonso 2 1744 2012/10/20 00:52 by Alfonso overlap probleme in negf calculations Jahanbin 0 1526 2012/10/15 04:36 by Jahanbin Installation problem Nourdine 12 7953 2012/09/27 11:31 by Anant NEGF calculation using restart P 0 1425 2012/09/25 01:59 by P Pseudopotential vps file Kwangwoo 2 1431 2012/09/24 16:47 by Kwangwoo How to calculate <Sx>, <Sy> and <Sz> with Open-Mx Jos&#233; Eduardo Padilha 1 5159 2012/09/23 18:33 by T.Ozaki erro: NEGF calculation with different right and left lead wang 1 1952 2012/09/23 17:00 by wang band structure of YN IDRIS 1 1715 2012/09/11 07:28 by T.Ozaki GaAs DOS Dariusz Chrobak 4 2223 2012/09/10 23:55 by T.Ozaki Gate voltage reference for NEGF transport calculations P 2 1776 2012/09/10 21:29 by P same PAOs Julio Aguiar 4 1580 2012/09/03 23:59 by Julio Aguiar Silicon cd force calculations Dariusz Chrobak 2 2509 2012/08/29 18:34 by Dariusz Chrobak installation with openmpi sanjeev 1 1380 2012/08/28 17:44 by T. Ozaki Unit using in exchange coupling parameter Pui-Wai Ma 1 464 2012/08/28 17:42 by T. Ozaki scf.Kgrid Vikas Sharma 1 2328 2012/08/28 16:20 by T.Ozaki Some question about small cluster calculations sanjeev 1 1782 2012/08/28 16:16 by T.Ozaki Ca lattice constant Sang 2 2575 2012/07/29 06:22 by Sang Large Dipole Moment Somesh Bhattacharya 2 1813 2012/07/25 13:55 by Somesh Bhattacharya Post complilation problem Mosahhar 2 1823 2012/07/25 05:51 by Mosahhar

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