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Topics Author Replies Views Last Modified
restart of NEGF stepmarius013762012/04/11 19:28
by marius
How to Write Wavefunction zhe118672012/04/03 21:26
by T. Ozaki
how to calculate the equilibrium lattice constants (New to OPENMX)Raf119982012/03/30 14:59
by JH Parq
Problems with Transport CalculationTamal Goswami627312012/03/28 22:28
by Tamal Goswami
ADPAC 2.2 vs 2.2 input differences?Grigory Shamov319922012/03/24 03:00
by Grigory Shamov
Calculation of magnetic anisotropyjlrch122372012/03/23 08:35
by T. Ozaki
A question about Restart filesKun Jiang113632012/03/23 08:30
by T. Ozaki
electrostatic PotentialDan113662012/03/23 08:27
by T. Ozaki
EXXJohnTse112692012/03/23 08:23
by T. Ozaki
GaAs test having discrepanciesGrigory Shamov113302012/03/23 03:19
by Grigory Shamov
problem with parallel runningDavid340092012/03/17 17:29
by Johny Tang
Size of basis setjlrch115002012/03/10 16:08
by Larry Fried
How to specify contracted basisLarry Fried120962012/03/10 09:18
by Larry Fried
is the example "MnO" in work folder of openmx 3.6 for fcc structure or rhombohedral? jam011262012/02/24 15:13
by jam
Installation procedure of openmx3.6 in CentOS 6.0 or 5.x: step by stepReda Boufatah 123282012/02/15 23:33
by Abdelouahab
Error when single atom system, scf.EigenvalueSolver is BandA. M. Ito145012012/01/21 04:15
by A. M. Ito
Errors after building OpenMX, illegal value info=-3 in dstevx_Grigory Shamov115372012/01/19 03:05
by Grigory Shamov
how to calculate and plot Projected Bulk Band StructureZhe024782012/01/16 19:12
by Zhe
A question about the momentum matrix elements calculationHung-Lung Huang365372012/01/04 18:31
by Sajad Ahmad
ask for VPS and PAO of Ce and Irchen012872012/01/04 06:37
by chen
optimization of the volumeSajad Ahmad013132012/01/02 20:52
by Sajad Ahmad
problen in makeali118582011/12/30 02:57
by Reda BOUFATAH
[openmx 3.6] DFT_DATA_PATH is undeclared in check_lead.c Reda Boufatah011062011/12/18 04:06
by Reda Boufatah
Format for "MD.Fixed.XYZ" in openmx3.5Zhe114562011/12/17 19:45
by T.Ozaki
how to set CC and LIB to compile openmx 3.6? Sajad Ahmad012812011/11/21 19:01
by Sajad Ahmad
how to create a nano system input file?ajaz012412011/11/19 15:05
by ajaz
openmx3.4 installation problemDaniel 324112011/11/19 12:32
by Dr. Amar Bahadur
variable cell relaxation in OpenMXJess116602011/11/18 18:43
by T.Ozaki
How to calculate Bulk Modulus using this codeSajad Ahmad419742011/11/16 20:34
by Sajad Ahmad
convergence problems with OpenMX 3.6Denis Music1374002011/11/16 14:42
by T.Ozaki
Problem with Band structureDimpy Sharma417582011/11/15 02:52
by Dimpy Sharma
OpenMX ver.3.6 compilation with -DnompiN.Kolchenko332532011/11/14 17:26
by T.Ozaki
Definition of Orbitals in version 3.6Hadi Arefi111422011/11/14 17:19
by T.Ozaki
patch3.6.1 to OpenMX Ver. 3.6T.Ozaki031232011/11/14 17:07
by T.Ozaki
Postprocessing - "Analysis of ..." N.Kolchenko216572011/11/13 02:26
by N.Kolchenko
Ab initio determination of Hubbard parameter UMauro Sgroi215812011/11/12 05:48
by Mauro Sgroi
Ghost orbitalHadi Arefi123062011/11/11 22:21
by T.Ozaki
New version of OpenMxDimpy Sharma115652011/11/11 22:16
by T.Ozaki
PAO and VPSRakesh Kar115102011/11/11 22:09
by T.Ozaki
The conventions for real spherical harmonics in OpenMXH.327162011/11/11 21:55
by T.Ozaki
Release of OpenMX Ver. 3.6T.Ozaki012152011/11/10 17:31
by T.Ozaki
scf convergence problemj229182011/11/03 07:46
by jhlee
Better convergence for larger number of processors in case non-collinear calculations with SOCJohannes Voss115612011/10/27 17:40
by N.Kolchenko
Strange Mulliken Populations using new PAO in NEGFSarah Jones225322011/10/18 17:47
by Sarah Jones
"oddity" with odd number of statesN.Kolchenko 234642011/10/12 20:27
by N.Kolchenko
EvsLC MD.Type?Reda BOUFATAH113442011/10/12 17:02
by T.Ozaki
Transport including spin-orbit interactionErnesto O. Wrasse112742011/10/10 02:26
by Jiwon
ADPACK Ver. 2.2, Database 2011, and patch for OpenMX Ver. 3.5T.Ozaki520822011/10/01 07:02
by N.Kolchenko
Segfaults during memory accesses in Band_DFT_Col.cRenato Miceli1167082011/10/01 00:45
by Renato Miceli
Problem in Orbital optimisationDimpy Sharma114972011/09/29 21:01
by T.Ozaki

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