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Topics Author Replies Views Last Modified
Unit using in exchange coupling parameter Pui-Wai Ma17522012/08/28 17:42
by T. Ozaki
scf.KgridVikas Sharma125842012/08/28 16:20
by T.Ozaki
Some question about small cluster calculationssanjeev119862012/08/28 16:16
by T.Ozaki
Ca lattice constantSang228272012/07/29 06:22
by Sang
Large Dipole MomentSomesh Bhattacharya220352012/07/25 13:55
by Somesh Bhattacharya
Post complilation problemMosahhar220502012/07/25 05:51
by Mosahhar
Calculation timeDmitry118992012/07/25 00:51
by T.Ozaki
The exact meaning of the natn arrayKonstantin Khromov116082012/07/21 09:40
by T.Ozaki
NEGFLida117902012/07/21 09:31
by T.Ozaki
Log. derivs fail to converge in ADPACKGrigory Shamov117022012/07/21 09:29
by T.Ozaki
Tips on Compilation of OpenMX in POWER7 machinesT.Ohwaki020462012/07/05 11:58
by T.Ohwaki
Murnaghan equation fit code questionRyan127122012/07/03 13:29
by Anita
openmx testrun resultsmarius531812012/07/02 15:37
by Somesh Bhattacharya
What states of the d-orbitals correspond to the numbers (d1〜5) in output files?Yasutaka Nishida230632012/06/06 13:07
by Yasutaka Nishida
Correction of manual (ESM method)T.Ohwaki016532012/05/24 16:56
by T.Ohwaki
About platform.mt221752012/05/19 20:35
by Mohamed Khalfallah
restart of NEGF stepmarius016872012/04/11 19:28
by marius
How to Write Wavefunction zhe121942012/04/03 21:26
by T. Ozaki
how to calculate the equilibrium lattice constants (New to OPENMX)Raf123112012/03/30 14:59
by JH Parq
Problems with Transport CalculationTamal Goswami631332012/03/28 22:28
by Tamal Goswami
ADPAC 2.2 vs 2.2 input differences?Grigory Shamov323252012/03/24 03:00
by Grigory Shamov
Calculation of magnetic anisotropyjlrch125852012/03/23 08:35
by T. Ozaki
A question about Restart filesKun Jiang116602012/03/23 08:30
by T. Ozaki
electrostatic PotentialDan116652012/03/23 08:27
by T. Ozaki
EXXJohnTse115912012/03/23 08:23
by T. Ozaki
GaAs test having discrepanciesGrigory Shamov116012012/03/23 03:19
by Grigory Shamov
problem with parallel runningDavid349112012/03/17 17:29
by Johny Tang
Size of basis setjlrch117982012/03/10 16:08
by Larry Fried
How to specify contracted basisLarry Fried124372012/03/10 09:18
by Larry Fried
is the example "MnO" in work folder of openmx 3.6 for fcc structure or rhombohedral? jam014222012/02/24 15:13
by jam
Installation procedure of openmx3.6 in CentOS 6.0 or 5.x: step by stepReda Boufatah 126562012/02/15 23:33
by Abdelouahab
Error when single atom system, scf.EigenvalueSolver is BandA. M. Ito150772012/01/21 04:15
by A. M. Ito
Errors after building OpenMX, illegal value info=-3 in dstevx_Grigory Shamov118332012/01/19 03:05
by Grigory Shamov
how to calculate and plot Projected Bulk Band StructureZhe028422012/01/16 19:12
by Zhe
A question about the momentum matrix elements calculationHung-Lung Huang369502012/01/04 18:31
by Sajad Ahmad
ask for VPS and PAO of Ce and Irchen015652012/01/04 06:37
by chen
optimization of the volumeSajad Ahmad016192012/01/02 20:52
by Sajad Ahmad
problen in makeali121822011/12/30 02:57
by Reda BOUFATAH
[openmx 3.6] DFT_DATA_PATH is undeclared in check_lead.c Reda Boufatah013832011/12/18 04:06
by Reda Boufatah
Format for "MD.Fixed.XYZ" in openmx3.5Zhe117752011/12/17 19:45
by T.Ozaki
how to set CC and LIB to compile openmx 3.6? Sajad Ahmad015602011/11/21 19:01
by Sajad Ahmad
how to create a nano system input file?ajaz015252011/11/19 15:05
by ajaz
openmx3.4 installation problemDaniel 327352011/11/19 12:32
by Dr. Amar Bahadur
variable cell relaxation in OpenMXJess119472011/11/18 18:43
by T.Ozaki
How to calculate Bulk Modulus using this codeSajad Ahmad422542011/11/16 20:34
by Sajad Ahmad
convergence problems with OpenMX 3.6Denis Music1378572011/11/16 14:42
by T.Ozaki
Problem with Band structureDimpy Sharma420822011/11/15 02:52
by Dimpy Sharma
OpenMX ver.3.6 compilation with -DnompiN.Kolchenko336202011/11/14 17:26
by T.Ozaki
Definition of Orbitals in version 3.6Hadi Arefi114602011/11/14 17:19
by T.Ozaki
patch3.6.1 to OpenMX Ver. 3.6T.Ozaki035052011/11/14 17:07
by T.Ozaki

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