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Topics Author Replies Views Last Modified
Pseudopotential vps fileKwangwoo223252012/09/24 16:47
by Kwangwoo
How to calculate <Sx>, <Sy> and <Sz> with Open-MxJos&#233; Eduardo Padilha169062012/09/23 18:33
by T.Ozaki
erro: NEGF calculation with different right and left lead wang128022012/09/23 17:00
by wang
band structure of YNIDRIS125292012/09/11 07:28
by T.Ozaki
GaAs DOS Dariusz Chrobak430592012/09/10 23:55
by T.Ozaki
Gate voltage reference for NEGF transport calculationsP 225662012/09/10 21:29
by P
same PAOsJulio Aguiar424222012/09/03 23:59
by Julio Aguiar
Silicon cd force calculationsDariusz Chrobak233782012/08/29 18:34
by Dariusz Chrobak
installation with openmpisanjeev121612012/08/28 17:44
by T. Ozaki
Unit using in exchange coupling parameter Pui-Wai Ma114422012/08/28 17:42
by T. Ozaki
scf.KgridVikas Sharma133392012/08/28 16:20
by T.Ozaki
Some question about small cluster calculationssanjeev125162012/08/28 16:16
by T.Ozaki
Ca lattice constantSang235612012/07/29 06:22
by Sang
Large Dipole MomentSomesh Bhattacharya226092012/07/25 13:55
by Somesh Bhattacharya
Post complilation problemMosahhar226052012/07/25 05:51
by Mosahhar
Calculation timeDmitry124912012/07/25 00:51
by T.Ozaki
The exact meaning of the natn arrayKonstantin Khromov123322012/07/21 09:40
by T.Ozaki
NEGFLida123692012/07/21 09:31
by T.Ozaki
Log. derivs fail to converge in ADPACKGrigory Shamov122572012/07/21 09:29
by T.Ozaki
Tips on Compilation of OpenMX in POWER7 machinesT.Ohwaki026232012/07/05 11:58
by T.Ohwaki
Murnaghan equation fit code questionRyan134232012/07/03 13:29
by Anita
openmx testrun resultsmarius537642012/07/02 15:37
by Somesh Bhattacharya
What states of the d-orbitals correspond to the numbers (d1〜5) in output files?Yasutaka Nishida240202012/06/06 13:07
by Yasutaka Nishida
Correction of manual (ESM method)T.Ohwaki022352012/05/24 16:56
by T.Ohwaki
About platform.mt227522012/05/19 20:35
by Mohamed Khalfallah
restart of NEGF stepmarius022522012/04/11 19:28
by marius
How to Write Wavefunction zhe128652012/04/03 21:26
by T. Ozaki
how to calculate the equilibrium lattice constants (New to OPENMX)Raf128682012/03/30 14:59
by JH Parq
Problems with Transport CalculationTamal Goswami637452012/03/28 22:28
by Tamal Goswami
ADPAC 2.2 vs 2.2 input differences?Grigory Shamov329502012/03/24 03:00
by Grigory Shamov
Calculation of magnetic anisotropyjlrch132132012/03/23 08:35
by T. Ozaki
A question about Restart filesKun Jiang121842012/03/23 08:30
by T. Ozaki
electrostatic PotentialDan122512012/03/23 08:27
by T. Ozaki
EXXJohnTse121882012/03/23 08:23
by T. Ozaki
GaAs test having discrepanciesGrigory Shamov121662012/03/23 03:19
by Grigory Shamov
problem with parallel runningDavid356162012/03/17 17:29
by Johny Tang
Size of basis setjlrch123152012/03/10 16:08
by Larry Fried
How to specify contracted basisLarry Fried129762012/03/10 09:18
by Larry Fried
is the example "MnO" in work folder of openmx 3.6 for fcc structure or rhombohedral? jam019692012/02/24 15:13
by jam
Installation procedure of openmx3.6 in CentOS 6.0 or 5.x: step by stepReda Boufatah 132462012/02/15 23:33
by Abdelouahab
Error when single atom system, scf.EigenvalueSolver is BandA. M. Ito157372012/01/21 04:15
by A. M. Ito
Errors after building OpenMX, illegal value info=-3 in dstevx_Grigory Shamov123652012/01/19 03:05
by Grigory Shamov
how to calculate and plot Projected Bulk Band StructureZhe034162012/01/16 19:12
by Zhe
A question about the momentum matrix elements calculationHung-Lung Huang377512012/01/04 18:31
by Sajad Ahmad
ask for VPS and PAO of Ce and Irchen021012012/01/04 06:37
by chen
optimization of the volumeSajad Ahmad021632012/01/02 20:52
by Sajad Ahmad
problen in makeali127362011/12/30 02:57
by Reda BOUFATAH
[openmx 3.6] DFT_DATA_PATH is undeclared in check_lead.c Reda Boufatah019082011/12/18 04:06
by Reda Boufatah
Format for "MD.Fixed.XYZ" in openmx3.5Zhe123252011/12/17 19:45
by T.Ozaki
how to set CC and LIB to compile openmx 3.6? Sajad Ahmad020662011/11/21 19:01
by Sajad Ahmad

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