OpenMX Forum
New Thread | Return Home | Mailing List | Points of Concern | Search | Past Log | Administration    

List of Threads

Topics Author Replies Views Last Modified
Basis vectors of Heusler alloy idu226652013/02/06 21:11
by idu
Energy of Fermi, HOMO and LUMOzhe025532013/01/18 23:36
by zhe
Memory problem?pesonkr024572013/01/18 12:24
by pesonkr
optical conductivityPavel Serba327212013/01/12 02:52
by PavelSerba
Zero Point Energy (ZPE) correctionNima025622013/01/11 02:53
by Nima
installationZahra133342013/01/10 20:25
by surender
Numerical error of force and total energy by the Gauss-Legendre quadrature in Total_Energy.cA. M. Ito232632012/12/28 13:41
by A. M. Ito
Installation error on Fedora 17Wang daobin142572012/12/28 07:03
by Surender
pseudopotentials for LanthanideFraser020482012/12/20 13:55
by Fraser
computations of adsorption of NO on TiO2marzi024982012/12/02 19:24
by marzi
Fe/MgO/Fe calculation Kamaram Munira028702012/12/01 00:55
by Kamaram Munira
Problems with convergenceJan Rusz336072012/11/30 22:54
by Jan Rusz
Transport calculation in Fe-MgO-Fe system, LEFT lead cannot be superposed on the original cellKamaram027232012/11/27 02:24
by Kamaram
Node in Be 2s wavefunctionDario Mitnik020982012/11/22 23:48
by Dario Mitnik
problem with 'Automatic Running Test"Surender138202012/11/12 23:21
by 10412009
Input file creation for my moleculeskannan020442012/11/07 05:53
by kannan
Input file for BismuthMehmood020962012/11/06 21:54
by Mehmood
Error: TRAN_Calc_SurfGreen in NEGF calculationjahanbin020762012/11/05 15:52
by jahanbin
Force on the nucleus of an atom under the external electric fieldH224432012/10/29 01:41
by H
Problem with Copper hard pseudopotentialAlfonso226592012/10/20 00:52
by Alfonso
overlap probleme in negf calculationsJahanbin023882012/10/15 04:36
by Jahanbin
Installation problemNourdine 12102322012/09/27 11:31
by Anant
NEGF calculation using restartP022512012/09/25 01:59
by P
Pseudopotential vps fileKwangwoo224842012/09/24 16:47
by Kwangwoo
How to calculate <Sx>, <Sy> and <Sz> with Open-MxJos&#233; Eduardo Padilha170392012/09/23 18:33
by T.Ozaki
erro: NEGF calculation with different right and left lead wang129052012/09/23 17:00
by wang
band structure of YNIDRIS126182012/09/11 07:28
by T.Ozaki
GaAs DOS Dariusz Chrobak431432012/09/10 23:55
by T.Ozaki
Gate voltage reference for NEGF transport calculationsP 226572012/09/10 21:29
by P
same PAOsJulio Aguiar425072012/09/03 23:59
by Julio Aguiar
Silicon cd force calculationsDariusz Chrobak234892012/08/29 18:34
by Dariusz Chrobak
installation with openmpisanjeev122442012/08/28 17:44
by T. Ozaki
Unit using in exchange coupling parameter Pui-Wai Ma115242012/08/28 17:42
by T. Ozaki
scf.KgridVikas Sharma134952012/08/28 16:20
by T.Ozaki
Some question about small cluster calculationssanjeev126142012/08/28 16:16
by T.Ozaki
Ca lattice constantSang237062012/07/29 06:22
by Sang
Large Dipole MomentSomesh Bhattacharya226952012/07/25 13:55
by Somesh Bhattacharya
Post complilation problemMosahhar226892012/07/25 05:51
by Mosahhar
Calculation timeDmitry125792012/07/25 00:51
by T.Ozaki
The exact meaning of the natn arrayKonstantin Khromov124492012/07/21 09:40
by T.Ozaki
NEGFLida124482012/07/21 09:31
by T.Ozaki
Log. derivs fail to converge in ADPACKGrigory Shamov123422012/07/21 09:29
by T.Ozaki
Tips on Compilation of OpenMX in POWER7 machinesT.Ohwaki027022012/07/05 11:58
by T.Ohwaki
Murnaghan equation fit code questionRyan135142012/07/03 13:29
by Anita
openmx testrun resultsmarius538542012/07/02 15:37
by Somesh Bhattacharya
What states of the d-orbitals correspond to the numbers (d1〜5) in output files?Yasutaka Nishida241502012/06/06 13:07
by Yasutaka Nishida
Correction of manual (ESM method)T.Ohwaki023352012/05/24 16:56
by T.Ohwaki
About platform.mt228462012/05/19 20:35
by Mohamed Khalfallah
restart of NEGF stepmarius023372012/04/11 19:28
by marius
How to Write Wavefunction zhe129882012/04/03 21:26
by T. Ozaki

Page: [1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [13] [14] [15] [16] [17] [18] [19] [20] [21] [22] [23] [24] [25] [26] [27] [28] [29] [30] [31] [32]


Open Thread    Locked Thread    Alarm(More than 900 replies)   Message from Administrator


- Web Patio -