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Can we specify the bias voltage applied to the left and right lead, respectively?Yasutaka Nishida231032013/05/16 19:17
by Yasutaka Nishida
How to compute the phonon dispersion by openmxT.Morshedloo026832013/04/30 17:34
by T.Morshedloo
segmentation fault during <logical truncation>Ruibin Liu021112013/04/18 10:26
by Ruibin Liu
question on FeO_NC.dat input filesanjeev024402013/03/25 17:15
by sanjeev
How to visualize charge density using XcrysdensJoao Amaral242522013/03/19 20:21
by Joao Amaral
Energy convergence requirementsAlfonso022302013/03/15 23:52
by Alfonso
Producing desired spin stateTamal Goswami021712013/02/27 17:40
by Tamal Goswami
Convergence issue of CoFe/MgO/CoFe sytem (MTJ)H.Park031522013/02/25 15:45
by H.Park
Basis vectors of Heusler alloy idu227632013/02/06 21:11
by idu
Energy of Fermi, HOMO and LUMOzhe026712013/01/18 23:36
by zhe
Memory problem?pesonkr025672013/01/18 12:24
by pesonkr
optical conductivityPavel Serba328092013/01/12 02:52
by PavelSerba
Zero Point Energy (ZPE) correctionNima026612013/01/11 02:53
by Nima
installationZahra134162013/01/10 20:25
by surender
Numerical error of force and total energy by the Gauss-Legendre quadrature in Total_Energy.cA. M. Ito233732012/12/28 13:41
by A. M. Ito
Installation error on Fedora 17Wang daobin143592012/12/28 07:03
by Surender
pseudopotentials for LanthanideFraser021282012/12/20 13:55
by Fraser
computations of adsorption of NO on TiO2marzi025892012/12/02 19:24
by marzi
Fe/MgO/Fe calculation Kamaram Munira029612012/12/01 00:55
by Kamaram Munira
Problems with convergenceJan Rusz337772012/11/30 22:54
by Jan Rusz
Transport calculation in Fe-MgO-Fe system, LEFT lead cannot be superposed on the original cellKamaram028182012/11/27 02:24
by Kamaram
Node in Be 2s wavefunctionDario Mitnik021952012/11/22 23:48
by Dario Mitnik
problem with 'Automatic Running Test"Surender139502012/11/12 23:21
by 10412009
Input file creation for my moleculeskannan021352012/11/07 05:53
by kannan
Input file for BismuthMehmood021792012/11/06 21:54
by Mehmood
Error: TRAN_Calc_SurfGreen in NEGF calculationjahanbin021542012/11/05 15:52
by jahanbin
Force on the nucleus of an atom under the external electric fieldH225492012/10/29 01:41
by H
Problem with Copper hard pseudopotentialAlfonso227792012/10/20 00:52
by Alfonso
overlap probleme in negf calculationsJahanbin024792012/10/15 04:36
by Jahanbin
Installation problemNourdine 12106512012/09/27 11:31
by Anant
NEGF calculation using restartP023392012/09/25 01:59
by P
Pseudopotential vps fileKwangwoo226232012/09/24 16:47
by Kwangwoo
How to calculate <Sx>, <Sy> and <Sz> with Open-MxJos&#233; Eduardo Padilha171952012/09/23 18:33
by T.Ozaki
erro: NEGF calculation with different right and left lead wang130152012/09/23 17:00
by wang
band structure of YNIDRIS127082012/09/11 07:28
by T.Ozaki
GaAs DOS Dariusz Chrobak432342012/09/10 23:55
by T.Ozaki
Gate voltage reference for NEGF transport calculationsP 227582012/09/10 21:29
by P
same PAOsJulio Aguiar426052012/09/03 23:59
by Julio Aguiar
Silicon cd force calculationsDariusz Chrobak235942012/08/29 18:34
by Dariusz Chrobak
installation with openmpisanjeev123512012/08/28 17:44
by T. Ozaki
Unit using in exchange coupling parameter Pui-Wai Ma116512012/08/28 17:42
by T. Ozaki
scf.KgridVikas Sharma136832012/08/28 16:20
by T.Ozaki
Some question about small cluster calculationssanjeev127552012/08/28 16:16
by T.Ozaki
Ca lattice constantSang238992012/07/29 06:22
by Sang
Large Dipole MomentSomesh Bhattacharya227992012/07/25 13:55
by Somesh Bhattacharya
Post complilation problemMosahhar227822012/07/25 05:51
by Mosahhar
Calculation timeDmitry126772012/07/25 00:51
by T.Ozaki
The exact meaning of the natn arrayKonstantin Khromov125612012/07/21 09:40
by T.Ozaki
NEGFLida125312012/07/21 09:31
by T.Ozaki
Log. derivs fail to converge in ADPACKGrigory Shamov124352012/07/21 09:29
by T.Ozaki

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