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Topics Author Replies Views Last Modified
Fe/MgO/Fe calculation Kamaram Munira028132012/12/01 00:55
by Kamaram Munira
Problems with convergenceJan Rusz334992012/11/30 22:54
by Jan Rusz
Transport calculation in Fe-MgO-Fe system, LEFT lead cannot be superposed on the original cellKamaram026542012/11/27 02:24
by Kamaram
Node in Be 2s wavefunctionDario Mitnik020382012/11/22 23:48
by Dario Mitnik
problem with 'Automatic Running Test"Surender137622012/11/12 23:21
by 10412009
Input file creation for my moleculeskannan019832012/11/07 05:53
by kannan
Input file for BismuthMehmood020392012/11/06 21:54
by Mehmood
Error: TRAN_Calc_SurfGreen in NEGF calculationjahanbin020102012/11/05 15:52
by jahanbin
Force on the nucleus of an atom under the external electric fieldH223772012/10/29 01:41
by H
Problem with Copper hard pseudopotentialAlfonso225872012/10/20 00:52
by Alfonso
overlap probleme in negf calculationsJahanbin023282012/10/15 04:36
by Jahanbin
Installation problemNourdine 1298532012/09/27 11:31
by Anant
NEGF calculation using restartP021932012/09/25 01:59
by P
Pseudopotential vps fileKwangwoo223572012/09/24 16:47
by Kwangwoo
How to calculate <Sx>, <Sy> and <Sz> with Open-MxJos&#233; Eduardo Padilha169442012/09/23 18:33
by T.Ozaki
erro: NEGF calculation with different right and left lead wang128312012/09/23 17:00
by wang
band structure of YNIDRIS125542012/09/11 07:28
by T.Ozaki
GaAs DOS Dariusz Chrobak430822012/09/10 23:55
by T.Ozaki
Gate voltage reference for NEGF transport calculationsP 225872012/09/10 21:29
by P
same PAOsJulio Aguiar424432012/09/03 23:59
by Julio Aguiar
Silicon cd force calculationsDariusz Chrobak234132012/08/29 18:34
by Dariusz Chrobak
installation with openmpisanjeev121852012/08/28 17:44
by T. Ozaki
Unit using in exchange coupling parameter Pui-Wai Ma114562012/08/28 17:42
by T. Ozaki
scf.KgridVikas Sharma134012012/08/28 16:20
by T.Ozaki
Some question about small cluster calculationssanjeev125442012/08/28 16:16
by T.Ozaki
Ca lattice constantSang235822012/07/29 06:22
by Sang
Large Dipole MomentSomesh Bhattacharya226292012/07/25 13:55
by Somesh Bhattacharya
Post complilation problemMosahhar226272012/07/25 05:51
by Mosahhar
Calculation timeDmitry125172012/07/25 00:51
by T.Ozaki
The exact meaning of the natn arrayKonstantin Khromov123692012/07/21 09:40
by T.Ozaki
NEGFLida123892012/07/21 09:31
by T.Ozaki
Log. derivs fail to converge in ADPACKGrigory Shamov122842012/07/21 09:29
by T.Ozaki
Tips on Compilation of OpenMX in POWER7 machinesT.Ohwaki026462012/07/05 11:58
by T.Ohwaki
Murnaghan equation fit code questionRyan134532012/07/03 13:29
by Anita
openmx testrun resultsmarius537872012/07/02 15:37
by Somesh Bhattacharya
What states of the d-orbitals correspond to the numbers (d1〜5) in output files?Yasutaka Nishida240662012/06/06 13:07
by Yasutaka Nishida
Correction of manual (ESM method)T.Ohwaki022662012/05/24 16:56
by T.Ohwaki
About platform.mt227762012/05/19 20:35
by Mohamed Khalfallah
restart of NEGF stepmarius022742012/04/11 19:28
by marius
How to Write Wavefunction zhe128992012/04/03 21:26
by T. Ozaki
how to calculate the equilibrium lattice constants (New to OPENMX)Raf128952012/03/30 14:59
by JH Parq
Problems with Transport CalculationTamal Goswami637822012/03/28 22:28
by Tamal Goswami
ADPAC 2.2 vs 2.2 input differences?Grigory Shamov329792012/03/24 03:00
by Grigory Shamov
Calculation of magnetic anisotropyjlrch132412012/03/23 08:35
by T. Ozaki
A question about Restart filesKun Jiang122112012/03/23 08:30
by T. Ozaki
electrostatic PotentialDan122722012/03/23 08:27
by T. Ozaki
EXXJohnTse122222012/03/23 08:23
by T. Ozaki
GaAs test having discrepanciesGrigory Shamov121912012/03/23 03:19
by Grigory Shamov
problem with parallel runningDavid356462012/03/17 17:29
by Johny Tang
Size of basis setjlrch123352012/03/10 16:08
by Larry Fried

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