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Topics Author Replies Views Last Modified
overlap probleme in negf calculationsJahanbin011922012/10/15 04:36
by Jahanbin
Installation problemNourdine 1270232012/09/27 11:31
by Anant
NEGF calculation using restartP010862012/09/25 01:59
by P
Pseudopotential vps fileKwangwoo211432012/09/24 16:47
by Kwangwoo
How to calculate <Sx>, <Sy> and <Sz> with Open-MxJos&#233; Eduardo Padilha136042012/09/23 18:33
by T.Ozaki
erro: NEGF calculation with different right and left lead wang115232012/09/23 17:00
by wang
band structure of YNIDRIS114182012/09/11 07:28
by T.Ozaki
GaAs DOS Dariusz Chrobak417932012/09/10 23:55
by T.Ozaki
Gate voltage reference for NEGF transport calculationsP 214552012/09/10 21:29
by P
same PAOsJulio Aguiar412812012/09/03 23:59
by Julio Aguiar
Silicon cd force calculationsDariusz Chrobak222232012/08/29 18:34
by Dariusz Chrobak
installation with openmpisanjeev110882012/08/28 17:44
by T. Ozaki
Unit using in exchange coupling parameter Pui-Wai Ma117752012/08/28 17:42
by T. Ozaki
scf.KgridVikas Sharma118922012/08/28 16:20
by T.Ozaki
Some question about small cluster calculationssanjeev114982012/08/28 16:16
by T.Ozaki
Ca lattice constantSang222172012/07/29 06:22
by Sang
Large Dipole MomentSomesh Bhattacharya214852012/07/25 13:55
by Somesh Bhattacharya
Post complilation problemMosahhar215262012/07/25 05:51
by Mosahhar
Calculation timeDmitry113692012/07/25 00:51
by T.Ozaki
The exact meaning of the natn arrayKonstantin Khromov110632012/07/21 09:40
by T.Ozaki
NEGFLida112452012/07/21 09:31
by T.Ozaki
Log. derivs fail to converge in ADPACKGrigory Shamov111912012/07/21 09:29
by T.Ozaki
Tips on Compilation of OpenMX in POWER7 machinesT.Ohwaki015742012/07/05 11:58
by T.Ohwaki
Murnaghan equation fit code questionRyan120702012/07/03 13:29
by Anita
openmx testrun resultsmarius525662012/07/02 15:37
by Somesh Bhattacharya
What states of the d-orbitals correspond to the numbers (d1〜5) in output files?Yasutaka Nishida222582012/06/06 13:07
by Yasutaka Nishida
Correction of manual (ESM method)T.Ohwaki011492012/05/24 16:56
by T.Ohwaki
About platform.mt215892012/05/19 20:35
by Mohamed Khalfallah
restart of NEGF stepmarius011672012/04/11 19:28
by marius
How to Write Wavefunction zhe116082012/04/03 21:26
by T. Ozaki
how to calculate the equilibrium lattice constants (New to OPENMX)Raf117022012/03/30 14:59
by JH Parq
Problems with Transport CalculationTamal Goswami624042012/03/28 22:28
by Tamal Goswami
ADPAC 2.2 vs 2.2 input differences?Grigory Shamov317882012/03/24 03:00
by Grigory Shamov
Calculation of magnetic anisotropyjlrch119422012/03/23 08:35
by T. Ozaki
A question about Restart filesKun Jiang111362012/03/23 08:30
by T. Ozaki
electrostatic PotentialDan111252012/03/23 08:27
by T. Ozaki
EXXJohnTse110212012/03/23 08:23
by T. Ozaki
GaAs test having discrepanciesGrigory Shamov111282012/03/23 03:19
by Grigory Shamov
problem with parallel runningDavid329132012/03/17 17:29
by Johny Tang
Size of basis setjlrch112282012/03/10 16:08
by Larry Fried
How to specify contracted basisLarry Fried118032012/03/10 09:18
by Larry Fried
is the example "MnO" in work folder of openmx 3.6 for fcc structure or rhombohedral? jam09152012/02/24 15:13
by jam
Installation procedure of openmx3.6 in CentOS 6.0 or 5.x: step by stepReda Boufatah 120772012/02/15 23:33
by Abdelouahab
Error when single atom system, scf.EigenvalueSolver is BandA. M. Ito140572012/01/21 04:15
by A. M. Ito
Errors after building OpenMX, illegal value info=-3 in dstevx_Grigory Shamov113422012/01/19 03:05
by Grigory Shamov
how to calculate and plot Projected Bulk Band StructureZhe021702012/01/16 19:12
by Zhe
A question about the momentum matrix elements calculationHung-Lung Huang361852012/01/04 18:31
by Sajad Ahmad
ask for VPS and PAO of Ce and Irchen010892012/01/04 06:37
by chen
optimization of the volumeSajad Ahmad011312012/01/02 20:52
by Sajad Ahmad
problen in makeali116402011/12/30 02:57
by Reda BOUFATAH

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