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List of Threads Topics Author Replies Views Last Modified How to print out derivatives of individual H and S matrix elements LK 1 1284 2013/08/30 17:51 by T. Ozaki Patch 3.7.5 to OpenMX Ver. 3.7 T. Ozaki 0 1712 2013/08/29 17:53 by T. Ozaki openmx3.7 Gary Washington 1 1382 2013/08/23 21:52 by T. Ozaki Difference in total energy between version 3.6 and 3.7 Bob Schoeters 2 1820 2013/08/02 16:53 by Bob Schoeters Calculate energy with constrained magnitude of magnetic moment Pui-Wai Ma 1 1362 2013/08/01 22:28 by T. Ozaki Non-local potential EXcluded from vo.cube and v1.cube: why? Leonardo Makinistian 2 1767 2013/07/26 18:43 by Leonardo Makinistian Patch 3.7.4 to OpenMX Ver. 3.7 T. Ozaki 2 1786 2013/07/26 13:23 by T. Ozaki OPENMX 3.7 Installation problem Kanagaraj C 8 4067 2013/07/16 15:57 by Kanagaraj C LCAO zahra 1 1319 2013/07/11 17:48 by T. Ozaki Cell parameter for DOS of metal oxide cluster sanjeev 1 1524 2013/07/03 17:02 by T. Ozaki optical conductivity units PavelSerba 2 2568 2013/07/01 15:36 by T. Ozaki KS determinant Ruibin Liu 6 2388 2013/07/01 15:32 by T. Ozaki 2013 database completion Mauri 1 1197 2013/06/25 17:54 by T. Ozaki install openmx 3.7 on debian wheezy H T W 1 1595 2013/06/25 14:28 by T.V.T. Duy problem on installation openmx 3.7 with patch 3 on debian wheezy Ma 1 1492 2013/06/25 14:18 by T.V.T. Duy OpenMX-3.7 installation problem on Fedora 17 surender 6 5909 2013/06/17 09:26 by T. Ozaki Electronic Temperature in openmx Ruibin Liu 5 2879 2013/06/16 11:52 by T. Ozaki Units on .vhart.cube Jose Eduardo Padilha 1 1201 2013/06/13 09:06 by T. Ozaki Installation Error Dogan Erbahar 1 1934 2013/06/07 17:24 by alireza electric field Ruibin Liu 1 1347 2013/06/04 21:00 by T. Ozaki Patch 3.7.3 to OpenMX Ver. 3.7 T. Ozaki 0 1605 2013/06/03 17:24 by T. Ozaki Hybrid functional B3LYP Ruibin Liu 1 1438 2013/06/03 09:59 by T. Ozaki openmx 3.7 on intel_64 Denis Music 5 4771 2013/05/31 14:29 by Denis Music openmx3.7 Installation problem SH 5 9775 2013/05/29 20:42 by Tamal Goswami Patch 3.7.2 to OpenMX Ver. 3.7 T. Ozaki 0 1455 2013/05/29 17:37 by T. Ozaki Patch 3.7.1 to OpenMX Ver. 3.7 T. Ozaki 0 1155 2013/05/27 14:56 by T. Ozaki 2013 database for heavy elements James 1 1269 2013/05/24 20:47 by T. Ozaki Release of OpenMX Ver. 3.7 T. Ozaki 0 999 2013/05/23 12:02 by T. Ozaki Exact exchange and hybrid functionals Mauro Sgroi 2 1406 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 1673 2013/05/16 19:17 by Yasutaka Nishida How to compute the phonon dispersion by openmx T.Morshedloo 0 1480 2013/04/30 17:34 by T.Morshedloo segmentation fault during <logical truncation> Ruibin Liu 0 1088 2013/04/18 10:26 by Ruibin Liu question on FeO_NC.dat input file sanjeev 0 1333 2013/03/25 17:15 by sanjeev How to visualize charge density using Xcrysdens Joao Amaral 2 2770 2013/03/19 20:21 by Joao Amaral Energy convergence requirements Alfonso 0 1163 2013/03/15 23:52 by Alfonso Producing desired spin state Tamal Goswami 0 1180 2013/02/27 17:40 by Tamal Goswami Convergence issue of CoFe/MgO/CoFe sytem (MTJ) H.Park 0 1998 2013/02/25 15:45 by H.Park Basis vectors of Heusler alloy idu 2 1633 2013/02/06 21:11 by idu Energy of Fermi, HOMO and LUMO zhe 0 1466 2013/01/18 23:36 by zhe Memory problem? pesonkr 0 1519 2013/01/18 12:24 by pesonkr optical conductivity Pavel Serba 3 1754 2013/01/12 02:52 by PavelSerba Zero Point Energy (ZPE) correction Nima 0 1568 2013/01/11 02:53 by Nima installation Zahra 1 2343 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 2234 2012/12/28 13:41 by A. M. Ito Installation error on Fedora 17 Wang daobin 1 3095 2012/12/28 07:03 by Surender pseudopotentials for Lanthanide Fraser 0 1129 2012/12/20 13:55 by Fraser computations of adsorption of NO on TiO2 marzi 0 1482 2012/12/02 19:24 by marzi Fe/MgO/Fe calculation Kamaram Munira 0 1845 2012/12/01 00:55 by Kamaram Munira Problems with convergence Jan Rusz 3 2174 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 1705 2012/11/27 02:24 by Kamaram

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