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Topics Author Replies Views Last Modified
erro: NEGF calculation with different right and left lead wang118162012/09/23 17:00
by wang
band structure of YNIDRIS116082012/09/11 07:28
by T.Ozaki
GaAs DOS Dariusz Chrobak420552012/09/10 23:55
by T.Ozaki
Gate voltage reference for NEGF transport calculationsP 216472012/09/10 21:29
by P
same PAOsJulio Aguiar414542012/09/03 23:59
by Julio Aguiar
Silicon cd force calculationsDariusz Chrobak224022012/08/29 18:34
by Dariusz Chrobak
installation with openmpisanjeev112572012/08/28 17:44
by T. Ozaki
Unit using in exchange coupling parameter Pui-Wai Ma12742012/08/28 17:42
by T. Ozaki
scf.KgridVikas Sharma121322012/08/28 16:20
by T.Ozaki
Some question about small cluster calculationssanjeev116692012/08/28 16:16
by T.Ozaki
Ca lattice constantSang224272012/07/29 06:22
by Sang
Large Dipole MomentSomesh Bhattacharya216952012/07/25 13:55
by Somesh Bhattacharya
Post complilation problemMosahhar217032012/07/25 05:51
by Mosahhar
Calculation timeDmitry115602012/07/25 00:51
by T.Ozaki
The exact meaning of the natn arrayKonstantin Khromov112192012/07/21 09:40
by T.Ozaki
NEGFLida114392012/07/21 09:31
by T.Ozaki
Log. derivs fail to converge in ADPACKGrigory Shamov113462012/07/21 09:29
by T.Ozaki
Tips on Compilation of OpenMX in POWER7 machinesT.Ohwaki017332012/07/05 11:58
by T.Ohwaki
Murnaghan equation fit code questionRyan122902012/07/03 13:29
by Anita
openmx testrun resultsmarius528062012/07/02 15:37
by Somesh Bhattacharya
What states of the d-orbitals correspond to the numbers (d1`5) in output files?Yasutaka Nishida225132012/06/06 13:07
by Yasutaka Nishida
Correction of manual (ESM method)T.Ohwaki013182012/05/24 16:56
by T.Ohwaki
About platform.mt217942012/05/19 20:35
by Mohamed Khalfallah
restart of NEGF stepmarius013362012/04/11 19:28
by marius
How to Write Wavefunction zhe118152012/04/03 21:26
by T. Ozaki
how to calculate the equilibrium lattice constants (New to OPENMX)Raf119512012/03/30 14:59
by JH Parq
Problems with Transport CalculationTamal Goswami626822012/03/28 22:28
by Tamal Goswami
ADPAC 2.2 vs 2.2 input differences?Grigory Shamov319512012/03/24 03:00
by Grigory Shamov
Calculation of magnetic anisotropyjlrch121912012/03/23 08:35
by T. Ozaki
A question about Restart filesKun Jiang113192012/03/23 08:30
by T. Ozaki
electrostatic PotentialDan113182012/03/23 08:27
by T. Ozaki
EXXJohnTse112272012/03/23 08:23
by T. Ozaki
GaAs test having discrepanciesGrigory Shamov112962012/03/23 03:19
by Grigory Shamov
problem with parallel runningDavid338012012/03/17 17:29
by Johny Tang
Size of basis setjlrch114542012/03/10 16:08
by Larry Fried
How to specify contracted basisLarry Fried120472012/03/10 09:18
by Larry Fried
is the example "MnO" in work folder of openmx 3.6 for fcc structure or rhombohedral? jam010862012/02/24 15:13
by jam
Installation procedure of openmx3.6 in CentOS 6.0 or 5.x: step by stepReda Boufatah 122722012/02/15 23:33
by Abdelouahab
Error when single atom system, scf.EigenvalueSolver is BandA. M. Ito144072012/01/21 04:15
by A. M. Ito
Errors after building OpenMX, illegal value info=-3 in dstevx_Grigory Shamov115042012/01/19 03:05
by Grigory Shamov
how to calculate and plot Projected Bulk Band StructureZhe024292012/01/16 19:12
by Zhe
A question about the momentum matrix elements calculationHung-Lung Huang364752012/01/04 18:31
by Sajad Ahmad
ask for VPS and PAO of Ce and Irchen012512012/01/04 06:37
by chen
optimization of the volumeSajad Ahmad012792012/01/02 20:52
by Sajad Ahmad
problen in makeali118242011/12/30 02:57
by Reda BOUFATAH
[openmx 3.6] DFT_DATA_PATH is undeclared in check_lead.c Reda Boufatah010732011/12/18 04:06
by Reda Boufatah
Format for "MD.Fixed.XYZ" in openmx3.5Zhe114212011/12/17 19:45
by T.Ozaki
how to set CC and LIB to compile openmx 3.6? Sajad Ahmad012402011/11/21 19:01
by Sajad Ahmad
how to create a nano system input file?ajaz012052011/11/19 15:05
by ajaz
openmx3.4 installation problemDaniel 323462011/11/19 12:32
by Dr. Amar Bahadur

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