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Topics Author Replies Views Last Modified
Hybrid functional B3LYPRuibin Liu110692013/06/03 09:59
by T. Ozaki
openmx 3.7 on intel_64Denis Music542152013/05/31 14:29
by Denis Music
openmx3.7 Installation problemSH579142013/05/29 20:42
by Tamal Goswami
Patch 3.7.2 to OpenMX Ver. 3.7T. Ozaki011712013/05/29 17:37
by T. Ozaki
Patch 3.7.1 to OpenMX Ver. 3.7T. Ozaki08702013/05/27 14:56
by T. Ozaki
2013 database for heavy elementsJames19912013/05/24 20:47
by T. Ozaki
Release of OpenMX Ver. 3.7T. Ozaki07282013/05/23 12:02
by T. Ozaki
Exact exchange and hybrid functionalsMauro Sgroi211082013/05/16 23:15
by Mauro Sgroi
Can we specify the bias voltage applied to the left and right lead, respectively?Yasutaka Nishida213132013/05/16 19:17
by Yasutaka Nishida
How to compute the phonon dispersion by openmxT.Morshedloo010982013/04/30 17:34
by T.Morshedloo
segmentation fault during <logical truncation>Ruibin Liu08142013/04/18 10:26
by Ruibin Liu
question on FeO_NC.dat input filesanjeev010462013/03/25 17:15
by sanjeev
How to visualize charge density using XcrysdensJoao Amaral222012013/03/19 20:21
by Joao Amaral
Energy convergence requirementsAlfonso08772013/03/15 23:52
by Alfonso
Producing desired spin stateTamal Goswami08742013/02/27 17:40
by Tamal Goswami
Convergence issue of CoFe/MgO/CoFe sytem (MTJ)H.Park016322013/02/25 15:45
by H.Park
Basis vectors of Heusler alloy idu212902013/02/06 21:11
by idu
Energy of Fermi, HOMO and LUMOzhe010882013/01/18 23:36
by zhe
Memory problem?pesonkr011902013/01/18 12:24
by pesonkr
optical conductivityPavel Serba314592013/01/12 02:52
by PavelSerba
Zero Point Energy (ZPE) correctionNima012432013/01/11 02:53
by Nima
installationZahra119202013/01/10 20:25
by surender
Numerical error of force and total energy by the Gauss-Legendre quadrature in Total_Energy.cA. M. Ito217702012/12/28 13:41
by A. M. Ito
Installation error on Fedora 17Wang daobin125142012/12/28 07:03
by Surender
pseudopotentials for LanthanideFraser08352012/12/20 13:55
by Fraser
computations of adsorption of NO on TiO2marzi010182012/12/02 19:24
by marzi
Fe/MgO/Fe calculation Kamaram Munira014732012/12/01 00:55
by Kamaram Munira
Problems with convergenceJan Rusz316932012/11/30 22:54
by Jan Rusz
Transport calculation in Fe-MgO-Fe system, LEFT lead cannot be superposed on the original cellKamaram013552012/11/27 02:24
by Kamaram
Node in Be 2s wavefunctionDario Mitnik08722012/11/22 23:48
by Dario Mitnik
problem with 'Automatic Running Test"Surender122062012/11/12 23:21
by 10412009
Input file creation for my moleculeskannan08302012/11/07 05:53
by kannan
Input file for BismuthMehmood08592012/11/06 21:54
by Mehmood
Error: TRAN_Calc_SurfGreen in NEGF calculationjahanbin08552012/11/05 15:52
by jahanbin
Force on the nucleus of an atom under the external electric fieldH210882012/10/29 01:41
by H
Problem with Copper hard pseudopotentialAlfonso213062012/10/20 00:52
by Alfonso
overlap probleme in negf calculationsJahanbin010772012/10/15 04:36
by Jahanbin
Installation problemNourdine 1267332012/09/27 11:31
by Anant
NEGF calculation using restartP09502012/09/25 01:59
by P
Pseudopotential vps fileKwangwoo210382012/09/24 16:47
by Kwangwoo
How to calculate <Sx>, <Sy> and <Sz> with Open-MxJos&#233; Eduardo Padilha130802012/09/23 18:33
by T.Ozaki
erro: NEGF calculation with different right and left lead wang113972012/09/23 17:00
by wang
band structure of YNIDRIS112842012/09/11 07:28
by T.Ozaki
GaAs DOS Dariusz Chrobak416562012/09/10 23:55
by T.Ozaki
Gate voltage reference for NEGF transport calculationsP 213412012/09/10 21:29
by P
same PAOsJulio Aguiar411692012/09/03 23:59
by Julio Aguiar
Silicon cd force calculationsDariusz Chrobak221192012/08/29 18:34
by Dariusz Chrobak
installation with openmpisanjeev19792012/08/28 17:44
by T. Ozaki
Unit using in exchange coupling parameter Pui-Wai Ma116572012/08/28 17:42
by T. Ozaki
scf.KgridVikas Sharma117552012/08/28 16:20
by T.Ozaki

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