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List of Threads

Topics Author Replies Views Last Modified
electric fieldRuibin Liu116972013/06/04 21:00
by T. Ozaki
Patch 3.7.3 to OpenMX Ver. 3.7T. Ozaki018882013/06/03 17:24
by T. Ozaki
Hybrid functional B3LYPRuibin Liu117832013/06/03 09:59
by T. Ozaki
openmx 3.7 on intel_64Denis Music553002013/05/31 14:29
by Denis Music
openmx3.7 Installation problemSH5116562013/05/29 20:42
by Tamal Goswami
Patch 3.7.2 to OpenMX Ver. 3.7T. Ozaki017672013/05/29 17:37
by T. Ozaki
Patch 3.7.1 to OpenMX Ver. 3.7T. Ozaki014472013/05/27 14:56
by T. Ozaki
2013 database for heavy elementsJames116032013/05/24 20:47
by T. Ozaki
Release of OpenMX Ver. 3.7T. Ozaki013062013/05/23 12:02
by T. Ozaki
Exact exchange and hybrid functionalsMauro Sgroi217472013/05/16 23:15
by Mauro Sgroi
Can we specify the bias voltage applied to the left and right lead, respectively?Yasutaka Nishida220382013/05/16 19:17
by Yasutaka Nishida
How to compute the phonon dispersion by openmxT.Morshedloo018302013/04/30 17:34
by T.Morshedloo
segmentation fault during <logical truncation>Ruibin Liu013802013/04/18 10:26
by Ruibin Liu
question on FeO_NC.dat input filesanjeev016722013/03/25 17:15
by sanjeev
How to visualize charge density using XcrysdensJoao Amaral232422013/03/19 20:21
by Joao Amaral
Energy convergence requirementsAlfonso014542013/03/15 23:52
by Alfonso
Producing desired spin stateTamal Goswami014712013/02/27 17:40
by Tamal Goswami
Convergence issue of CoFe/MgO/CoFe sytem (MTJ)H.Park023152013/02/25 15:45
by H.Park
Basis vectors of Heusler alloy idu219632013/02/06 21:11
by idu
Energy of Fermi, HOMO and LUMOzhe018252013/01/18 23:36
by zhe
Memory problem?pesonkr018302013/01/18 12:24
by pesonkr
optical conductivityPavel Serba320522013/01/12 02:52
by PavelSerba
Zero Point Energy (ZPE) correctionNima018792013/01/11 02:53
by Nima
installationZahra126802013/01/10 20:25
by surender
Numerical error of force and total energy by the Gauss-Legendre quadrature in Total_Energy.cA. M. Ito225752012/12/28 13:41
by A. M. Ito
Installation error on Fedora 17Wang daobin135512012/12/28 07:03
by Surender
pseudopotentials for LanthanideFraser014432012/12/20 13:55
by Fraser
computations of adsorption of NO on TiO2marzi018722012/12/02 19:24
by marzi
Fe/MgO/Fe calculation Kamaram Munira022022012/12/01 00:55
by Kamaram Munira
Problems with convergenceJan Rusz326472012/11/30 22:54
by Jan Rusz
Transport calculation in Fe-MgO-Fe system, LEFT lead cannot be superposed on the original cellKamaram020612012/11/27 02:24
by Kamaram
Node in Be 2s wavefunctionDario Mitnik014762012/11/22 23:48
by Dario Mitnik
problem with 'Automatic Running Test"Surender130172012/11/12 23:21
by 10412009
Input file creation for my moleculeskannan013862012/11/07 05:53
by kannan
Input file for BismuthMehmood014782012/11/06 21:54
by Mehmood
Error: TRAN_Calc_SurfGreen in NEGF calculationjahanbin014542012/11/05 15:52
by jahanbin
Force on the nucleus of an atom under the external electric fieldH217702012/10/29 01:41
by H
Problem with Copper hard pseudopotentialAlfonso219752012/10/20 00:52
by Alfonso
overlap probleme in negf calculationsJahanbin017522012/10/15 04:36
by Jahanbin
Installation problemNourdine 1284722012/09/27 11:31
by Anant
NEGF calculation using restartP016252012/09/25 01:59
by P
Pseudopotential vps fileKwangwoo216642012/09/24 16:47
by Kwangwoo
How to calculate <Sx>, <Sy> and <Sz> with Open-MxJos&#233; Eduardo Padilha160152012/09/23 18:33
by T.Ozaki
erro: NEGF calculation with different right and left lead wang121712012/09/23 17:00
by wang
band structure of YNIDRIS119442012/09/11 07:28
by T.Ozaki
GaAs DOS Dariusz Chrobak424532012/09/10 23:55
by T.Ozaki
Gate voltage reference for NEGF transport calculationsP 219952012/09/10 21:29
by P
same PAOsJulio Aguiar418132012/09/03 23:59
by Julio Aguiar
Silicon cd force calculationsDariusz Chrobak227452012/08/29 18:34
by Dariusz Chrobak
installation with openmpisanjeev115922012/08/28 17:44
by T. Ozaki

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