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Topics Author Replies Views Last Modified
GaAs DOS Dariusz Chrobak428242012/09/10 23:55
by T.Ozaki
Gate voltage reference for NEGF transport calculationsP 223262012/09/10 21:29
by P
same PAOsJulio Aguiar421812012/09/03 23:59
by Julio Aguiar
Silicon cd force calculationsDariusz Chrobak231332012/08/29 18:34
by Dariusz Chrobak
installation with openmpisanjeev119222012/08/28 17:44
by T. Ozaki
Unit using in exchange coupling parameter Pui-Wai Ma111922012/08/28 17:42
by T. Ozaki
scf.KgridVikas Sharma129902012/08/28 16:20
by T.Ozaki
Some question about small cluster calculationssanjeev122902012/08/28 16:16
by T.Ozaki
Ca lattice constantSang232022012/07/29 06:22
by Sang
Large Dipole MomentSomesh Bhattacharya223672012/07/25 13:55
by Somesh Bhattacharya
Post complilation problemMosahhar223642012/07/25 05:51
by Mosahhar
Calculation timeDmitry122642012/07/25 00:51
by T.Ozaki
The exact meaning of the natn arrayKonstantin Khromov120092012/07/21 09:40
by T.Ozaki
NEGFLida121562012/07/21 09:31
by T.Ozaki
Log. derivs fail to converge in ADPACKGrigory Shamov120322012/07/21 09:29
by T.Ozaki
Tips on Compilation of OpenMX in POWER7 machinesT.Ohwaki024122012/07/05 11:58
by T.Ohwaki
Murnaghan equation fit code questionRyan130972012/07/03 13:29
by Anita
openmx testrun resultsmarius535392012/07/02 15:37
by Somesh Bhattacharya
What states of the d-orbitals correspond to the numbers (d1〜5) in output files?Yasutaka Nishida236752012/06/06 13:07
by Yasutaka Nishida
Correction of manual (ESM method)T.Ohwaki020182012/05/24 16:56
by T.Ohwaki
About platform.mt225502012/05/19 20:35
by Mohamed Khalfallah
restart of NEGF stepmarius020382012/04/11 19:28
by marius
How to Write Wavefunction zhe125962012/04/03 21:26
by T. Ozaki
how to calculate the equilibrium lattice constants (New to OPENMX)Raf126382012/03/30 14:59
by JH Parq
Problems with Transport CalculationTamal Goswami635142012/03/28 22:28
by Tamal Goswami
ADPAC 2.2 vs 2.2 input differences?Grigory Shamov327102012/03/24 03:00
by Grigory Shamov
Calculation of magnetic anisotropyjlrch129382012/03/23 08:35
by T. Ozaki
A question about Restart filesKun Jiang119692012/03/23 08:30
by T. Ozaki
electrostatic PotentialDan120422012/03/23 08:27
by T. Ozaki
EXXJohnTse119472012/03/23 08:23
by T. Ozaki
GaAs test having discrepanciesGrigory Shamov119542012/03/23 03:19
by Grigory Shamov
problem with parallel runningDavid353752012/03/17 17:29
by Johny Tang
Size of basis setjlrch121162012/03/10 16:08
by Larry Fried
How to specify contracted basisLarry Fried127602012/03/10 09:18
by Larry Fried
is the example "MnO" in work folder of openmx 3.6 for fcc structure or rhombohedral? jam017512012/02/24 15:13
by jam
Installation procedure of openmx3.6 in CentOS 6.0 or 5.x: step by stepReda Boufatah 130282012/02/15 23:33
by Abdelouahab
Error when single atom system, scf.EigenvalueSolver is BandA. M. Ito154592012/01/21 04:15
by A. M. Ito
Errors after building OpenMX, illegal value info=-3 in dstevx_Grigory Shamov121652012/01/19 03:05
by Grigory Shamov
how to calculate and plot Projected Bulk Band StructureZhe031952012/01/16 19:12
by Zhe
A question about the momentum matrix elements calculationHung-Lung Huang374392012/01/04 18:31
by Sajad Ahmad
ask for VPS and PAO of Ce and Irchen018952012/01/04 06:37
by chen
optimization of the volumeSajad Ahmad019512012/01/02 20:52
by Sajad Ahmad
problen in makeali125192011/12/30 02:57
by Reda BOUFATAH
[openmx 3.6] DFT_DATA_PATH is undeclared in check_lead.c Reda Boufatah017112011/12/18 04:06
by Reda Boufatah
Format for "MD.Fixed.XYZ" in openmx3.5Zhe121112011/12/17 19:45
by T.Ozaki
how to set CC and LIB to compile openmx 3.6? Sajad Ahmad018712011/11/21 19:01
by Sajad Ahmad
how to create a nano system input file?ajaz018332011/11/19 15:05
by ajaz
openmx3.4 installation problemDaniel 330802011/11/19 12:32
by Dr. Amar Bahadur
variable cell relaxation in OpenMXJess123672011/11/18 18:43
by T.Ozaki
How to calculate Bulk Modulus using this codeSajad Ahmad425882011/11/16 20:34
by Sajad Ahmad

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