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Topics Author Replies Views Last Modified
Energy convergence requirementsAlfonso018212013/03/15 23:52
by Alfonso
Producing desired spin stateTamal Goswami018192013/02/27 17:40
by Tamal Goswami
Convergence issue of CoFe/MgO/CoFe sytem (MTJ)H.Park027532013/02/25 15:45
by H.Park
Basis vectors of Heusler alloy idu223912013/02/06 21:11
by idu
Energy of Fermi, HOMO and LUMOzhe022252013/01/18 23:36
by zhe
Memory problem?pesonkr021882013/01/18 12:24
by pesonkr
optical conductivityPavel Serba324522013/01/12 02:52
by PavelSerba
Zero Point Energy (ZPE) correctionNima022342013/01/11 02:53
by Nima
installationZahra130452013/01/10 20:25
by surender
Numerical error of force and total energy by the Gauss-Legendre quadrature in Total_Energy.cA. M. Ito229562012/12/28 13:41
by A. M. Ito
Installation error on Fedora 17Wang daobin139922012/12/28 07:03
by Surender
pseudopotentials for LanthanideFraser017762012/12/20 13:55
by Fraser
computations of adsorption of NO on TiO2marzi022242012/12/02 19:24
by marzi
Fe/MgO/Fe calculation Kamaram Munira025922012/12/01 00:55
by Kamaram Munira
Problems with convergenceJan Rusz332162012/11/30 22:54
by Jan Rusz
Transport calculation in Fe-MgO-Fe system, LEFT lead cannot be superposed on the original cellKamaram024312012/11/27 02:24
by Kamaram
Node in Be 2s wavefunctionDario Mitnik018462012/11/22 23:48
by Dario Mitnik
problem with 'Automatic Running Test"Surender134912012/11/12 23:21
by 10412009
Input file creation for my moleculeskannan017522012/11/07 05:53
by kannan
Input file for BismuthMehmood018322012/11/06 21:54
by Mehmood
Error: TRAN_Calc_SurfGreen in NEGF calculationjahanbin017872012/11/05 15:52
by jahanbin
Force on the nucleus of an atom under the external electric fieldH221232012/10/29 01:41
by H
Problem with Copper hard pseudopotentialAlfonso223652012/10/20 00:52
by Alfonso
overlap probleme in negf calculationsJahanbin021132012/10/15 04:36
by Jahanbin
Installation problemNourdine 1294432012/09/27 11:31
by Anant
NEGF calculation using restartP019622012/09/25 01:59
by P
Pseudopotential vps fileKwangwoo221072012/09/24 16:47
by Kwangwoo
How to calculate <Sx>, <Sy> and <Sz> with Open-MxJos&#233; Eduardo Padilha166482012/09/23 18:33
by T.Ozaki
erro: NEGF calculation with different right and left lead wang125902012/09/23 17:00
by wang
band structure of YNIDRIS123382012/09/11 07:28
by T.Ozaki
GaAs DOS Dariusz Chrobak428682012/09/10 23:55
by T.Ozaki
Gate voltage reference for NEGF transport calculationsP 223602012/09/10 21:29
by P
same PAOsJulio Aguiar422162012/09/03 23:59
by Julio Aguiar
Silicon cd force calculationsDariusz Chrobak231662012/08/29 18:34
by Dariusz Chrobak
installation with openmpisanjeev119622012/08/28 17:44
by T. Ozaki
Unit using in exchange coupling parameter Pui-Wai Ma112282012/08/28 17:42
by T. Ozaki
scf.KgridVikas Sharma130362012/08/28 16:20
by T.Ozaki
Some question about small cluster calculationssanjeev123252012/08/28 16:16
by T.Ozaki
Ca lattice constantSang232392012/07/29 06:22
by Sang
Large Dipole MomentSomesh Bhattacharya223992012/07/25 13:55
by Somesh Bhattacharya
Post complilation problemMosahhar223992012/07/25 05:51
by Mosahhar
Calculation timeDmitry122932012/07/25 00:51
by T.Ozaki
The exact meaning of the natn arrayKonstantin Khromov120532012/07/21 09:40
by T.Ozaki
NEGFLida121852012/07/21 09:31
by T.Ozaki
Log. derivs fail to converge in ADPACKGrigory Shamov120642012/07/21 09:29
by T.Ozaki
Tips on Compilation of OpenMX in POWER7 machinesT.Ohwaki024432012/07/05 11:58
by T.Ohwaki
Murnaghan equation fit code questionRyan131482012/07/03 13:29
by Anita
openmx testrun resultsmarius535732012/07/02 15:37
by Somesh Bhattacharya
What states of the d-orbitals correspond to the numbers (d1〜5) in output files?Yasutaka Nishida237272012/06/06 13:07
by Yasutaka Nishida
Correction of manual (ESM method)T.Ohwaki020482012/05/24 16:56
by T.Ohwaki

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