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Topics Author Replies Views Last Modified
Silicon cd force calculationsDariusz Chrobak232752012/08/29 18:34
by Dariusz Chrobak
installation with openmpisanjeev120642012/08/28 17:44
by T. Ozaki
Unit using in exchange coupling parameter Pui-Wai Ma113392012/08/28 17:42
by T. Ozaki
scf.KgridVikas Sharma132162012/08/28 16:20
by T.Ozaki
Some question about small cluster calculationssanjeev124132012/08/28 16:16
by T.Ozaki
Ca lattice constantSang233912012/07/29 06:22
by Sang
Large Dipole MomentSomesh Bhattacharya225082012/07/25 13:55
by Somesh Bhattacharya
Post complilation problemMosahhar224872012/07/25 05:51
by Mosahhar
Calculation timeDmitry123852012/07/25 00:51
by T.Ozaki
The exact meaning of the natn arrayKonstantin Khromov122282012/07/21 09:40
by T.Ozaki
NEGFLida122712012/07/21 09:31
by T.Ozaki
Log. derivs fail to converge in ADPACKGrigory Shamov121612012/07/21 09:29
by T.Ozaki
Tips on Compilation of OpenMX in POWER7 machinesT.Ohwaki025272012/07/05 11:58
by T.Ohwaki
Murnaghan equation fit code questionRyan133092012/07/03 13:29
by Anita
openmx testrun resultsmarius536662012/07/02 15:37
by Somesh Bhattacharya
What states of the d-orbitals correspond to the numbers (d1〜5) in output files?Yasutaka Nishida238952012/06/06 13:07
by Yasutaka Nishida
Correction of manual (ESM method)T.Ohwaki021372012/05/24 16:56
by T.Ohwaki
About platform.mt226592012/05/19 20:35
by Mohamed Khalfallah
restart of NEGF stepmarius021522012/04/11 19:28
by marius
How to Write Wavefunction zhe127662012/04/03 21:26
by T. Ozaki
how to calculate the equilibrium lattice constants (New to OPENMX)Raf127712012/03/30 14:59
by JH Parq
Problems with Transport CalculationTamal Goswami636392012/03/28 22:28
by Tamal Goswami
ADPAC 2.2 vs 2.2 input differences?Grigory Shamov328522012/03/24 03:00
by Grigory Shamov
Calculation of magnetic anisotropyjlrch131072012/03/23 08:35
by T. Ozaki
A question about Restart filesKun Jiang120862012/03/23 08:30
by T. Ozaki
electrostatic PotentialDan121512012/03/23 08:27
by T. Ozaki
EXXJohnTse120772012/03/23 08:23
by T. Ozaki
GaAs test having discrepanciesGrigory Shamov120622012/03/23 03:19
by Grigory Shamov
problem with parallel runningDavid355092012/03/17 17:29
by Johny Tang
Size of basis setjlrch122212012/03/10 16:08
by Larry Fried
How to specify contracted basisLarry Fried128752012/03/10 09:18
by Larry Fried
is the example "MnO" in work folder of openmx 3.6 for fcc structure or rhombohedral? jam018712012/02/24 15:13
by jam
Installation procedure of openmx3.6 in CentOS 6.0 or 5.x: step by stepReda Boufatah 131472012/02/15 23:33
by Abdelouahab
Error when single atom system, scf.EigenvalueSolver is BandA. M. Ito156392012/01/21 04:15
by A. M. Ito
Errors after building OpenMX, illegal value info=-3 in dstevx_Grigory Shamov122722012/01/19 03:05
by Grigory Shamov
how to calculate and plot Projected Bulk Band StructureZhe033092012/01/16 19:12
by Zhe
A question about the momentum matrix elements calculationHung-Lung Huang376472012/01/04 18:31
by Sajad Ahmad
ask for VPS and PAO of Ce and Irchen020072012/01/04 06:37
by chen
optimization of the volumeSajad Ahmad020612012/01/02 20:52
by Sajad Ahmad
problen in makeali126422011/12/30 02:57
by Reda BOUFATAH
[openmx 3.6] DFT_DATA_PATH is undeclared in check_lead.c Reda Boufatah018152011/12/18 04:06
by Reda Boufatah
Format for "MD.Fixed.XYZ" in openmx3.5Zhe122252011/12/17 19:45
by T.Ozaki
how to set CC and LIB to compile openmx 3.6? Sajad Ahmad019722011/11/21 19:01
by Sajad Ahmad
how to create a nano system input file?ajaz019352011/11/19 15:05
by ajaz
openmx3.4 installation problemDaniel 331942011/11/19 12:32
by Dr. Amar Bahadur
variable cell relaxation in OpenMXJess124852011/11/18 18:43
by T.Ozaki
How to calculate Bulk Modulus using this codeSajad Ahmad426952011/11/16 20:34
by Sajad Ahmad
convergence problems with OpenMX 3.6Denis Music1384332011/11/16 14:42
by T.Ozaki
Problem with Band structureDimpy Sharma425622011/11/15 02:52
by Dimpy Sharma
OpenMX ver.3.6 compilation with -DnompiN.Kolchenko341442011/11/14 17:26
by T.Ozaki

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