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Topics Author Replies Views Last Modified
problem with 'Automatic Running Test"Surender122352012/11/12 23:21
by 10412009
Input file creation for my moleculeskannan08602012/11/07 05:53
by kannan
Input file for BismuthMehmood08912012/11/06 21:54
by Mehmood
Error: TRAN_Calc_SurfGreen in NEGF calculationjahanbin08882012/11/05 15:52
by jahanbin
Force on the nucleus of an atom under the external electric fieldH211182012/10/29 01:41
by H
Problem with Copper hard pseudopotentialAlfonso213402012/10/20 00:52
by Alfonso
overlap probleme in negf calculationsJahanbin011112012/10/15 04:36
by Jahanbin
Installation problemNourdine 1268202012/09/27 11:31
by Anant
NEGF calculation using restartP09832012/09/25 01:59
by P
Pseudopotential vps fileKwangwoo210672012/09/24 16:47
by Kwangwoo
How to calculate <Sx>, <Sy> and <Sz> with Open-MxJos&#233; Eduardo Padilha132142012/09/23 18:33
by T.Ozaki
erro: NEGF calculation with different right and left lead wang114192012/09/23 17:00
by wang
band structure of YNIDRIS113172012/09/11 07:28
by T.Ozaki
GaAs DOS Dariusz Chrobak416892012/09/10 23:55
by T.Ozaki
Gate voltage reference for NEGF transport calculationsP 213742012/09/10 21:29
by P
same PAOsJulio Aguiar411982012/09/03 23:59
by Julio Aguiar
Silicon cd force calculationsDariusz Chrobak221492012/08/29 18:34
by Dariusz Chrobak
installation with openmpisanjeev110082012/08/28 17:44
by T. Ozaki
Unit using in exchange coupling parameter Pui-Wai Ma116782012/08/28 17:42
by T. Ozaki
scf.KgridVikas Sharma117892012/08/28 16:20
by T.Ozaki
Some question about small cluster calculationssanjeev114152012/08/28 16:16
by T.Ozaki
Ca lattice constantSang221112012/07/29 06:22
by Sang
Large Dipole MomentSomesh Bhattacharya214102012/07/25 13:55
by Somesh Bhattacharya
Post complilation problemMosahhar214572012/07/25 05:51
by Mosahhar
Calculation timeDmitry112982012/07/25 00:51
by T.Ozaki
The exact meaning of the natn arrayKonstantin Khromov19942012/07/21 09:40
by T.Ozaki
NEGFLida111762012/07/21 09:31
by T.Ozaki
Log. derivs fail to converge in ADPACKGrigory Shamov111232012/07/21 09:29
by T.Ozaki
Tips on Compilation of OpenMX in POWER7 machinesT.Ohwaki014982012/07/05 11:58
by T.Ohwaki
Murnaghan equation fit code questionRyan119322012/07/03 13:29
by Anita
openmx testrun resultsmarius524402012/07/02 15:37
by Somesh Bhattacharya
What states of the d-orbitals correspond to the numbers (d1〜5) in output files?Yasutaka Nishida221522012/06/06 13:07
by Yasutaka Nishida
Correction of manual (ESM method)T.Ohwaki010832012/05/24 16:56
by T.Ohwaki
About platform.mt215112012/05/19 20:35
by Mohamed Khalfallah
restart of NEGF stepmarius010882012/04/11 19:28
by marius
How to Write Wavefunction zhe114702012/04/03 21:26
by T. Ozaki
how to calculate the equilibrium lattice constants (New to OPENMX)Raf116072012/03/30 14:59
by JH Parq
Problems with Transport CalculationTamal Goswami622912012/03/28 22:28
by Tamal Goswami
ADPAC 2.2 vs 2.2 input differences?Grigory Shamov317172012/03/24 03:00
by Grigory Shamov
Calculation of magnetic anisotropyjlrch118442012/03/23 08:35
by T. Ozaki
A question about Restart filesKun Jiang110592012/03/23 08:30
by T. Ozaki
electrostatic PotentialDan110552012/03/23 08:27
by T. Ozaki
EXXJohnTse19522012/03/23 08:23
by T. Ozaki
GaAs test having discrepanciesGrigory Shamov110532012/03/23 03:19
by Grigory Shamov
problem with parallel runningDavid327022012/03/17 17:29
by Johny Tang
Size of basis setjlrch111472012/03/10 16:08
by Larry Fried
How to specify contracted basisLarry Fried117332012/03/10 09:18
by Larry Fried
is the example "MnO" in work folder of openmx 3.6 for fcc structure or rhombohedral? jam08442012/02/24 15:13
by jam
Installation procedure of openmx3.6 in CentOS 6.0 or 5.x: step by stepReda Boufatah 119882012/02/15 23:33
by Abdelouahab
Error when single atom system, scf.EigenvalueSolver is BandA. M. Ito138722012/01/21 04:15
by A. M. Ito

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