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List of Threads Topics Author Replies Views Last Modified 2013 database completion Mauri 1 1174 2013/06/25 17:54 by T. Ozaki install openmx 3.7 on debian wheezy H T W 1 1575 2013/06/25 14:28 by T.V.T. Duy problem on installation openmx 3.7 with patch 3 on debian wheezy Ma 1 1475 2013/06/25 14:18 by T.V.T. Duy OpenMX-3.7 installation problem on Fedora 17 surender 6 5876 2013/06/17 09:26 by T. Ozaki Electronic Temperature in openmx Ruibin Liu 5 2826 2013/06/16 11:52 by T. Ozaki Units on .vhart.cube Jose Eduardo Padilha 1 1180 2013/06/13 09:06 by T. Ozaki Installation Error Dogan Erbahar 1 1905 2013/06/07 17:24 by alireza electric field Ruibin Liu 1 1326 2013/06/04 21:00 by T. Ozaki Patch 3.7.3 to OpenMX Ver. 3.7 T. Ozaki 0 1585 2013/06/03 17:24 by T. Ozaki Hybrid functional B3LYP Ruibin Liu 1 1411 2013/06/03 09:59 by T. Ozaki openmx 3.7 on intel_64 Denis Music 5 4731 2013/05/31 14:29 by Denis Music openmx3.7 Installation problem SH 5 9630 2013/05/29 20:42 by Tamal Goswami Patch 3.7.2 to OpenMX Ver. 3.7 T. Ozaki 0 1431 2013/05/29 17:37 by T. Ozaki Patch 3.7.1 to OpenMX Ver. 3.7 T. Ozaki 0 1133 2013/05/27 14:56 by T. Ozaki 2013 database for heavy elements James 1 1248 2013/05/24 20:47 by T. Ozaki Release of OpenMX Ver. 3.7 T. Ozaki 0 978 2013/05/23 12:02 by T. Ozaki Exact exchange and hybrid functionals Mauro Sgroi 2 1381 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 1650 2013/05/16 19:17 by Yasutaka Nishida How to compute the phonon dispersion by openmx T.Morshedloo 0 1454 2013/04/30 17:34 by T.Morshedloo segmentation fault during <logical truncation> Ruibin Liu 0 1067 2013/04/18 10:26 by Ruibin Liu question on FeO_NC.dat input file sanjeev 0 1310 2013/03/25 17:15 by sanjeev How to visualize charge density using Xcrysdens Joao Amaral 2 2736 2013/03/19 20:21 by Joao Amaral Energy convergence requirements Alfonso 0 1141 2013/03/15 23:52 by Alfonso Producing desired spin state Tamal Goswami 0 1158 2013/02/27 17:40 by Tamal Goswami Convergence issue of CoFe/MgO/CoFe sytem (MTJ) H.Park 0 1969 2013/02/25 15:45 by H.Park Basis vectors of Heusler alloy idu 2 1611 2013/02/06 21:11 by idu Energy of Fermi, HOMO and LUMO zhe 0 1436 2013/01/18 23:36 by zhe Memory problem? pesonkr 0 1496 2013/01/18 12:24 by pesonkr optical conductivity Pavel Serba 3 1731 2013/01/12 02:52 by PavelSerba Zero Point Energy (ZPE) correction Nima 0 1544 2013/01/11 02:53 by Nima installation Zahra 1 2317 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 2206 2012/12/28 13:41 by A. M. Ito Installation error on Fedora 17 Wang daobin 1 3068 2012/12/28 07:03 by Surender pseudopotentials for Lanthanide Fraser 0 1106 2012/12/20 13:55 by Fraser computations of adsorption of NO on TiO2 marzi 0 1434 2012/12/02 19:24 by marzi Fe/MgO/Fe calculation Kamaram Munira 0 1821 2012/12/01 00:55 by Kamaram Munira Problems with convergence Jan Rusz 3 2136 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 1681 2012/11/27 02:24 by Kamaram Node in Be 2s wavefunction Dario Mitnik 0 1168 2012/11/22 23:48 by Dario Mitnik problem with 'Automatic Running Test" Surender 1 2561 2012/11/12 23:21 by 10412009 Input file creation for my molecules kannan 0 1105 2012/11/07 05:53 by kannan Input file for Bismuth Mehmood 0 1149 2012/11/06 21:54 by Mehmood Error: TRAN_Calc_SurfGreen in NEGF calculation jahanbin 0 1147 2012/11/05 15:52 by jahanbin Force on the nucleus of an atom under the external electric field H 2 1433 2012/10/29 01:41 by H Problem with Copper hard pseudopotential Alfonso 2 1628 2012/10/20 00:52 by Alfonso overlap probleme in negf calculations Jahanbin 0 1410 2012/10/15 04:36 by Jahanbin Installation problem Nourdine 12 7593 2012/09/27 11:31 by Anant NEGF calculation using restart P 0 1292 2012/09/25 01:59 by P Pseudopotential vps file Kwangwoo 2 1320 2012/09/24 16:47 by Kwangwoo How to calculate <Sx>, <Sy> and <Sz> with Open-Mx Jos&#233; Eduardo Padilha 1 4584 2012/09/23 18:33 by T.Ozaki

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