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Topics Author Replies Views Last Modified
Energy convergence requirementsAlfonso016142013/03/15 23:52
by Alfonso
Producing desired spin stateTamal Goswami016202013/02/27 17:40
by Tamal Goswami
Convergence issue of CoFe/MgO/CoFe sytem (MTJ)H.Park025212013/02/25 15:45
by H.Park
Basis vectors of Heusler alloy idu221222013/02/06 21:11
by idu
Energy of Fermi, HOMO and LUMOzhe020092013/01/18 23:36
by zhe
Memory problem?pesonkr019742013/01/18 12:24
by pesonkr
optical conductivityPavel Serba322102013/01/12 02:52
by PavelSerba
Zero Point Energy (ZPE) correctionNima020222013/01/11 02:53
by Nima
installationZahra128482013/01/10 20:25
by surender
Numerical error of force and total energy by the Gauss-Legendre quadrature in Total_Energy.cA. M. Ito227412012/12/28 13:41
by A. M. Ito
Installation error on Fedora 17Wang daobin137592012/12/28 07:03
by Surender
pseudopotentials for LanthanideFraser015832012/12/20 13:55
by Fraser
computations of adsorption of NO on TiO2marzi020182012/12/02 19:24
by marzi
Fe/MgO/Fe calculation Kamaram Munira023912012/12/01 00:55
by Kamaram Munira
Problems with convergenceJan Rusz328552012/11/30 22:54
by Jan Rusz
Transport calculation in Fe-MgO-Fe system, LEFT lead cannot be superposed on the original cellKamaram022162012/11/27 02:24
by Kamaram
Node in Be 2s wavefunctionDario Mitnik016352012/11/22 23:48
by Dario Mitnik
problem with 'Automatic Running Test"Surender132172012/11/12 23:21
by 10412009
Input file creation for my moleculeskannan015382012/11/07 05:53
by kannan
Input file for BismuthMehmood016242012/11/06 21:54
by Mehmood
Error: TRAN_Calc_SurfGreen in NEGF calculationjahanbin015892012/11/05 15:52
by jahanbin
Force on the nucleus of an atom under the external electric fieldH219102012/10/29 01:41
by H
Problem with Copper hard pseudopotentialAlfonso221352012/10/20 00:52
by Alfonso
overlap probleme in negf calculationsJahanbin018932012/10/15 04:36
by Jahanbin
Installation problemNourdine 1288512012/09/27 11:31
by Anant
NEGF calculation using restartP017592012/09/25 01:59
by P
Pseudopotential vps fileKwangwoo218312012/09/24 16:47
by Kwangwoo
How to calculate <Sx>, <Sy> and <Sz> with Open-MxJos&#233; Eduardo Padilha163192012/09/23 18:33
by T.Ozaki
erro: NEGF calculation with different right and left lead wang123362012/09/23 17:00
by wang
band structure of YNIDRIS120942012/09/11 07:28
by T.Ozaki
GaAs DOS Dariusz Chrobak426172012/09/10 23:55
by T.Ozaki
Gate voltage reference for NEGF transport calculationsP 221492012/09/10 21:29
by P
same PAOsJulio Aguiar419832012/09/03 23:59
by Julio Aguiar
Silicon cd force calculationsDariusz Chrobak229152012/08/29 18:34
by Dariusz Chrobak
installation with openmpisanjeev117352012/08/28 17:44
by T. Ozaki
Unit using in exchange coupling parameter Pui-Wai Ma19372012/08/28 17:42
by T. Ozaki
scf.KgridVikas Sharma127762012/08/28 16:20
by T.Ozaki
Some question about small cluster calculationssanjeev121302012/08/28 16:16
by T.Ozaki
Ca lattice constantSang229952012/07/29 06:22
by Sang
Large Dipole MomentSomesh Bhattacharya221722012/07/25 13:55
by Somesh Bhattacharya
Post complilation problemMosahhar221952012/07/25 05:51
by Mosahhar
Calculation timeDmitry120762012/07/25 00:51
by T.Ozaki
The exact meaning of the natn arrayKonstantin Khromov118012012/07/21 09:40
by T.Ozaki
NEGFLida119662012/07/21 09:31
by T.Ozaki
Log. derivs fail to converge in ADPACKGrigory Shamov118512012/07/21 09:29
by T.Ozaki
Tips on Compilation of OpenMX in POWER7 machinesT.Ohwaki022202012/07/05 11:58
by T.Ohwaki
Murnaghan equation fit code questionRyan128882012/07/03 13:29
by Anita
openmx testrun resultsmarius533452012/07/02 15:37
by Somesh Bhattacharya
What states of the d-orbitals correspond to the numbers (d1〜5) in output files?Yasutaka Nishida233632012/06/06 13:07
by Yasutaka Nishida
Correction of manual (ESM method)T.Ohwaki018182012/05/24 16:56
by T.Ohwaki

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