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Topics Author Replies Views Last Modified
Unit using in exchange coupling parameter Pui-Wai Ma16112012/08/28 17:42
by T. Ozaki
scf.KgridVikas Sharma124732012/08/28 16:20
by T.Ozaki
Some question about small cluster calculationssanjeev118992012/08/28 16:16
by T.Ozaki
Ca lattice constantSang227242012/07/29 06:22
by Sang
Large Dipole MomentSomesh Bhattacharya219252012/07/25 13:55
by Somesh Bhattacharya
Post complilation problemMosahhar219612012/07/25 05:51
by Mosahhar
Calculation timeDmitry118082012/07/25 00:51
by T.Ozaki
The exact meaning of the natn arrayKonstantin Khromov114932012/07/21 09:40
by T.Ozaki
NEGFLida116902012/07/21 09:31
by T.Ozaki
Log. derivs fail to converge in ADPACKGrigory Shamov116072012/07/21 09:29
by T.Ozaki
Tips on Compilation of OpenMX in POWER7 machinesT.Ohwaki019472012/07/05 11:58
by T.Ohwaki
Murnaghan equation fit code questionRyan125842012/07/03 13:29
by Anita
openmx testrun resultsmarius530772012/07/02 15:37
by Somesh Bhattacharya
What states of the d-orbitals correspond to the numbers (d1〜5) in output files?Yasutaka Nishida228602012/06/06 13:07
by Yasutaka Nishida
Correction of manual (ESM method)T.Ohwaki015572012/05/24 16:56
by T.Ohwaki
About platform.mt220482012/05/19 20:35
by Mohamed Khalfallah
restart of NEGF stepmarius015922012/04/11 19:28
by marius
How to Write Wavefunction zhe121162012/04/03 21:26
by T. Ozaki
how to calculate the equilibrium lattice constants (New to OPENMX)Raf122032012/03/30 14:59
by JH Parq
Problems with Transport CalculationTamal Goswami629972012/03/28 22:28
by Tamal Goswami
ADPAC 2.2 vs 2.2 input differences?Grigory Shamov322192012/03/24 03:00
by Grigory Shamov
Calculation of magnetic anisotropyjlrch124772012/03/23 08:35
by T. Ozaki
A question about Restart filesKun Jiang115592012/03/23 08:30
by T. Ozaki
electrostatic PotentialDan115562012/03/23 08:27
by T. Ozaki
EXXJohnTse114832012/03/23 08:23
by T. Ozaki
GaAs test having discrepanciesGrigory Shamov115042012/03/23 03:19
by Grigory Shamov
problem with parallel runningDavid346382012/03/17 17:29
by Johny Tang
Size of basis setjlrch117072012/03/10 16:08
by Larry Fried
How to specify contracted basisLarry Fried123292012/03/10 09:18
by Larry Fried
is the example "MnO" in work folder of openmx 3.6 for fcc structure or rhombohedral? jam013202012/02/24 15:13
by jam
Installation procedure of openmx3.6 in CentOS 6.0 or 5.x: step by stepReda Boufatah 125572012/02/15 23:33
by Abdelouahab
Error when single atom system, scf.EigenvalueSolver is BandA. M. Ito148942012/01/21 04:15
by A. M. Ito
Errors after building OpenMX, illegal value info=-3 in dstevx_Grigory Shamov117342012/01/19 03:05
by Grigory Shamov
how to calculate and plot Projected Bulk Band StructureZhe027442012/01/16 19:12
by Zhe
A question about the momentum matrix elements calculationHung-Lung Huang368122012/01/04 18:31
by Sajad Ahmad
ask for VPS and PAO of Ce and Irchen014692012/01/04 06:37
by chen
optimization of the volumeSajad Ahmad015222012/01/02 20:52
by Sajad Ahmad
problen in makeali120672011/12/30 02:57
by Reda BOUFATAH
[openmx 3.6] DFT_DATA_PATH is undeclared in check_lead.c Reda Boufatah012932011/12/18 04:06
by Reda Boufatah
Format for "MD.Fixed.XYZ" in openmx3.5Zhe116842011/12/17 19:45
by T.Ozaki
how to set CC and LIB to compile openmx 3.6? Sajad Ahmad014842011/11/21 19:01
by Sajad Ahmad
how to create a nano system input file?ajaz014492011/11/19 15:05
by ajaz
openmx3.4 installation problemDaniel 326452011/11/19 12:32
by Dr. Amar Bahadur
variable cell relaxation in OpenMXJess118602011/11/18 18:43
by T.Ozaki
How to calculate Bulk Modulus using this codeSajad Ahmad421632011/11/16 20:34
by Sajad Ahmad
convergence problems with OpenMX 3.6Denis Music1376782011/11/16 14:42
by T.Ozaki
Problem with Band structureDimpy Sharma419752011/11/15 02:52
by Dimpy Sharma
OpenMX ver.3.6 compilation with -DnompiN.Kolchenko334882011/11/14 17:26
by T.Ozaki
Definition of Orbitals in version 3.6Hadi Arefi113532011/11/14 17:19
by T.Ozaki
patch3.6.1 to OpenMX Ver. 3.6T.Ozaki033822011/11/14 17:07
by T.Ozaki

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