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Topics Author Replies Views Last Modified
optical conductivityPavel Serba314362013/01/12 02:52
by PavelSerba
Zero Point Energy (ZPE) correctionNima012142013/01/11 02:53
by Nima
installationZahra118782013/01/10 20:25
by surender
Numerical error of force and total energy by the Gauss-Legendre quadrature in Total_Energy.cA. M. Ito217482012/12/28 13:41
by A. M. Ito
Installation error on Fedora 17Wang daobin124712012/12/28 07:03
by Surender
pseudopotentials for LanthanideFraser08032012/12/20 13:55
by Fraser
computations of adsorption of NO on TiO2marzi09932012/12/02 19:24
by marzi
Fe/MgO/Fe calculation Kamaram Munira014452012/12/01 00:55
by Kamaram Munira
Problems with convergenceJan Rusz316622012/11/30 22:54
by Jan Rusz
Transport calculation in Fe-MgO-Fe system, LEFT lead cannot be superposed on the original cellKamaram013272012/11/27 02:24
by Kamaram
Node in Be 2s wavefunctionDario Mitnik08422012/11/22 23:48
by Dario Mitnik
problem with 'Automatic Running Test"Surender121732012/11/12 23:21
by 10412009
Input file creation for my moleculeskannan08002012/11/07 05:53
by kannan
Input file for BismuthMehmood08322012/11/06 21:54
by Mehmood
Error: TRAN_Calc_SurfGreen in NEGF calculationjahanbin08322012/11/05 15:52
by jahanbin
Force on the nucleus of an atom under the external electric fieldH210502012/10/29 01:41
by H
Problem with Copper hard pseudopotentialAlfonso212752012/10/20 00:52
by Alfonso
overlap probleme in negf calculationsJahanbin010522012/10/15 04:36
by Jahanbin
Installation problemNourdine 1266482012/09/27 11:31
by Anant
NEGF calculation using restartP09272012/09/25 01:59
by P
Pseudopotential vps fileKwangwoo210152012/09/24 16:47
by Kwangwoo
How to calculate <Sx>, <Sy> and <Sz> with Open-MxJos&#233; Eduardo Padilha129562012/09/23 18:33
by T.Ozaki
erro: NEGF calculation with different right and left lead wang113712012/09/23 17:00
by wang
band structure of YNIDRIS112592012/09/11 07:28
by T.Ozaki
GaAs DOS Dariusz Chrobak416212012/09/10 23:55
by T.Ozaki
Gate voltage reference for NEGF transport calculationsP 213172012/09/10 21:29
by P
same PAOsJulio Aguiar411392012/09/03 23:59
by Julio Aguiar
Silicon cd force calculationsDariusz Chrobak220912012/08/29 18:34
by Dariusz Chrobak
installation with openmpisanjeev19472012/08/28 17:44
by T. Ozaki
Unit using in exchange coupling parameter Pui-Wai Ma116302012/08/28 17:42
by T. Ozaki
scf.KgridVikas Sharma117212012/08/28 16:20
by T.Ozaki
Some question about small cluster calculationssanjeev113622012/08/28 16:16
by T.Ozaki
Ca lattice constantSang220192012/07/29 06:22
by Sang
Large Dipole MomentSomesh Bhattacharya213572012/07/25 13:55
by Somesh Bhattacharya
Post complilation problemMosahhar213932012/07/25 05:51
by Mosahhar
Calculation timeDmitry112452012/07/25 00:51
by T.Ozaki
The exact meaning of the natn arrayKonstantin Khromov19372012/07/21 09:40
by T.Ozaki
NEGFLida111212012/07/21 09:31
by T.Ozaki
Log. derivs fail to converge in ADPACKGrigory Shamov110712012/07/21 09:29
by T.Ozaki
Tips on Compilation of OpenMX in POWER7 machinesT.Ohwaki014412012/07/05 11:58
by T.Ohwaki
Murnaghan equation fit code questionRyan118542012/07/03 13:29
by Anita
openmx testrun resultsmarius523772012/07/02 15:37
by Somesh Bhattacharya
What states of the d-orbitals correspond to the numbers (d1〜5) in output files?Yasutaka Nishida220802012/06/06 13:07
by Yasutaka Nishida
Correction of manual (ESM method)T.Ohwaki010342012/05/24 16:56
by T.Ohwaki
About platform.mt214472012/05/19 20:35
by Mohamed Khalfallah
restart of NEGF stepmarius010332012/04/11 19:28
by marius
How to Write Wavefunction zhe113672012/04/03 21:26
by T. Ozaki
how to calculate the equilibrium lattice constants (New to OPENMX)Raf115452012/03/30 14:59
by JH Parq
Problems with Transport CalculationTamal Goswami622402012/03/28 22:28
by Tamal Goswami
ADPAC 2.2 vs 2.2 input differences?Grigory Shamov316672012/03/24 03:00
by Grigory Shamov

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