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Topics Author Replies Views Last Modified
Difference in total energy between version 3.6 and 3.7Bob Schoeters225762013/08/02 16:53
by Bob Schoeters
Calculate energy with constrained magnitude of magnetic momentPui-Wai Ma121472013/08/01 22:28
by T. Ozaki
Non-local potential EXcluded from vo.cube and v1.cube: why? Leonardo Makinistian226812013/07/26 18:43
by Leonardo Makinistian
Patch 3.7.4 to OpenMX Ver. 3.7T. Ozaki225432013/07/26 13:23
by T. Ozaki
OPENMX 3.7 Installation problemKanagaraj C857122013/07/16 15:57
by Kanagaraj C
LCAOzahra120362013/07/11 17:48
by T. Ozaki
Cell parameter for DOS of metal oxide clustersanjeev122132013/07/03 17:02
by T. Ozaki
optical conductivity unitsPavelSerba234852013/07/01 15:36
by T. Ozaki
KS determinantRuibin Liu632212013/07/01 15:32
by T. Ozaki
2013 database completionMauri119302013/06/25 17:54
by T. Ozaki
install openmx 3.7 on debian wheezy H T W123252013/06/25 14:28
by T.V.T. Duy
problem on installation openmx 3.7 with patch 3 on debian wheezyMa121992013/06/25 14:18
by T.V.T. Duy
OpenMX-3.7 installation problem on Fedora 17 surender670812013/06/17 09:26
by T. Ozaki
Electronic Temperature in openmxRuibin Liu545032013/06/16 11:52
by T. Ozaki
Units on .vhart.cubeJose Eduardo Padilha118782013/06/13 09:06
by T. Ozaki
Installation ErrorDogan Erbahar127752013/06/07 17:24
by alireza
electric fieldRuibin Liu121512013/06/04 21:00
by T. Ozaki
Patch 3.7.3 to OpenMX Ver. 3.7T. Ozaki023092013/06/03 17:24
by T. Ozaki
Hybrid functional B3LYPRuibin Liu122592013/06/03 09:59
by T. Ozaki
openmx 3.7 on intel_64Denis Music558762013/05/31 14:29
by Denis Music
openmx3.7 Installation problemSH5134722013/05/29 20:42
by Tamal Goswami
Patch 3.7.2 to OpenMX Ver. 3.7T. Ozaki021822013/05/29 17:37
by T. Ozaki
Patch 3.7.1 to OpenMX Ver. 3.7T. Ozaki018392013/05/27 14:56
by T. Ozaki
2013 database for heavy elementsJames120182013/05/24 20:47
by T. Ozaki
Release of OpenMX Ver. 3.7T. Ozaki016942013/05/23 12:02
by T. Ozaki
Exact exchange and hybrid functionalsMauro Sgroi221942013/05/16 23:15
by Mauro Sgroi
Can we specify the bias voltage applied to the left and right lead, respectively?Yasutaka Nishida225152013/05/16 19:17
by Yasutaka Nishida
How to compute the phonon dispersion by openmxT.Morshedloo023202013/04/30 17:34
by T.Morshedloo
segmentation fault during <logical truncation>Ruibin Liu017872013/04/18 10:26
by Ruibin Liu
question on FeO_NC.dat input filesanjeev021012013/03/25 17:15
by sanjeev
How to visualize charge density using XcrysdensJoao Amaral237922013/03/19 20:21
by Joao Amaral
Energy convergence requirementsAlfonso018632013/03/15 23:52
by Alfonso
Producing desired spin stateTamal Goswami018562013/02/27 17:40
by Tamal Goswami
Convergence issue of CoFe/MgO/CoFe sytem (MTJ)H.Park027832013/02/25 15:45
by H.Park
Basis vectors of Heusler alloy idu224312013/02/06 21:11
by idu
Energy of Fermi, HOMO and LUMOzhe022572013/01/18 23:36
by zhe
Memory problem?pesonkr022202013/01/18 12:24
by pesonkr
optical conductivityPavel Serba324882013/01/12 02:52
by PavelSerba
Zero Point Energy (ZPE) correctionNima022732013/01/11 02:53
by Nima
installationZahra130882013/01/10 20:25
by surender
Numerical error of force and total energy by the Gauss-Legendre quadrature in Total_Energy.cA. M. Ito229972012/12/28 13:41
by A. M. Ito
Installation error on Fedora 17Wang daobin140292012/12/28 07:03
by Surender
pseudopotentials for LanthanideFraser018082012/12/20 13:55
by Fraser
computations of adsorption of NO on TiO2marzi022642012/12/02 19:24
by marzi
Fe/MgO/Fe calculation Kamaram Munira026252012/12/01 00:55
by Kamaram Munira
Problems with convergenceJan Rusz332632012/11/30 22:54
by Jan Rusz
Transport calculation in Fe-MgO-Fe system, LEFT lead cannot be superposed on the original cellKamaram024702012/11/27 02:24
by Kamaram
Node in Be 2s wavefunctionDario Mitnik018772012/11/22 23:48
by Dario Mitnik
problem with 'Automatic Running Test"Surender135442012/11/12 23:21
by 10412009
Input file creation for my moleculeskannan017882012/11/07 05:53
by kannan

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