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Topics Author Replies Views Last Modified
Difference in total energy between version 3.6 and 3.7Bob Schoeters223682013/08/02 16:53
by Bob Schoeters
Calculate energy with constrained magnitude of magnetic momentPui-Wai Ma119252013/08/01 22:28
by T. Ozaki
Non-local potential EXcluded from vo.cube and v1.cube: why? Leonardo Makinistian224092013/07/26 18:43
by Leonardo Makinistian
Patch 3.7.4 to OpenMX Ver. 3.7T. Ozaki223162013/07/26 13:23
by T. Ozaki
OPENMX 3.7 Installation problemKanagaraj C854372013/07/16 15:57
by Kanagaraj C
LCAOzahra118422013/07/11 17:48
by T. Ozaki
Cell parameter for DOS of metal oxide clustersanjeev120132013/07/03 17:02
by T. Ozaki
optical conductivity unitsPavelSerba232272013/07/01 15:36
by T. Ozaki
KS determinantRuibin Liu629772013/07/01 15:32
by T. Ozaki
2013 database completionMauri117112013/06/25 17:54
by T. Ozaki
install openmx 3.7 on debian wheezy H T W121252013/06/25 14:28
by T.V.T. Duy
problem on installation openmx 3.7 with patch 3 on debian wheezyMa119972013/06/25 14:18
by T.V.T. Duy
OpenMX-3.7 installation problem on Fedora 17 surender667872013/06/17 09:26
by T. Ozaki
Electronic Temperature in openmxRuibin Liu540752013/06/16 11:52
by T. Ozaki
Units on .vhart.cubeJose Eduardo Padilha116842013/06/13 09:06
by T. Ozaki
Installation ErrorDogan Erbahar125692013/06/07 17:24
by alireza
electric fieldRuibin Liu119382013/06/04 21:00
by T. Ozaki
Patch 3.7.3 to OpenMX Ver. 3.7T. Ozaki020922013/06/03 17:24
by T. Ozaki
Hybrid functional B3LYPRuibin Liu120282013/06/03 09:59
by T. Ozaki
openmx 3.7 on intel_64Denis Music555572013/05/31 14:29
by Denis Music
openmx3.7 Installation problemSH5127432013/05/29 20:42
by Tamal Goswami
Patch 3.7.2 to OpenMX Ver. 3.7T. Ozaki019822013/05/29 17:37
by T. Ozaki
Patch 3.7.1 to OpenMX Ver. 3.7T. Ozaki016442013/05/27 14:56
by T. Ozaki
2013 database for heavy elementsJames118022013/05/24 20:47
by T. Ozaki
Release of OpenMX Ver. 3.7T. Ozaki014992013/05/23 12:02
by T. Ozaki
Exact exchange and hybrid functionalsMauro Sgroi219912013/05/16 23:15
by Mauro Sgroi
Can we specify the bias voltage applied to the left and right lead, respectively?Yasutaka Nishida222542013/05/16 19:17
by Yasutaka Nishida
How to compute the phonon dispersion by openmxT.Morshedloo020792013/04/30 17:34
by T.Morshedloo
segmentation fault during <logical truncation>Ruibin Liu015872013/04/18 10:26
by Ruibin Liu
question on FeO_NC.dat input filesanjeev018902013/03/25 17:15
by sanjeev
How to visualize charge density using XcrysdensJoao Amaral235212013/03/19 20:21
by Joao Amaral
Energy convergence requirementsAlfonso016612013/03/15 23:52
by Alfonso
Producing desired spin stateTamal Goswami016662013/02/27 17:40
by Tamal Goswami
Convergence issue of CoFe/MgO/CoFe sytem (MTJ)H.Park025692013/02/25 15:45
by H.Park
Basis vectors of Heusler alloy idu221622013/02/06 21:11
by idu
Energy of Fermi, HOMO and LUMOzhe020482013/01/18 23:36
by zhe
Memory problem?pesonkr020152013/01/18 12:24
by pesonkr
optical conductivityPavel Serba322582013/01/12 02:52
by PavelSerba
Zero Point Energy (ZPE) correctionNima020632013/01/11 02:53
by Nima
installationZahra128902013/01/10 20:25
by surender
Numerical error of force and total energy by the Gauss-Legendre quadrature in Total_Energy.cA. M. Ito227962012/12/28 13:41
by A. M. Ito
Installation error on Fedora 17Wang daobin138142012/12/28 07:03
by Surender
pseudopotentials for LanthanideFraser016312012/12/20 13:55
by Fraser
computations of adsorption of NO on TiO2marzi020692012/12/02 19:24
by marzi
Fe/MgO/Fe calculation Kamaram Munira024442012/12/01 00:55
by Kamaram Munira
Problems with convergenceJan Rusz329472012/11/30 22:54
by Jan Rusz
Transport calculation in Fe-MgO-Fe system, LEFT lead cannot be superposed on the original cellKamaram022642012/11/27 02:24
by Kamaram
Node in Be 2s wavefunctionDario Mitnik016842012/11/22 23:48
by Dario Mitnik
problem with 'Automatic Running Test"Surender132782012/11/12 23:21
by 10412009
Input file creation for my moleculeskannan015862012/11/07 05:53
by kannan

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