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Topics Author Replies Views Last Modified
Correction of manual (ESM method)T.Ohwaki015002012/05/24 16:56
by T.Ohwaki
About platform.mt219872012/05/19 20:35
by Mohamed Khalfallah
restart of NEGF stepmarius015312012/04/11 19:28
by marius
How to Write Wavefunction zhe120512012/04/03 21:26
by T. Ozaki
how to calculate the equilibrium lattice constants (New to OPENMX)Raf121402012/03/30 14:59
by JH Parq
Problems with Transport CalculationTamal Goswami629262012/03/28 22:28
by Tamal Goswami
ADPAC 2.2 vs 2.2 input differences?Grigory Shamov321532012/03/24 03:00
by Grigory Shamov
Calculation of magnetic anisotropyjlrch124062012/03/23 08:35
by T. Ozaki
A question about Restart filesKun Jiang115012012/03/23 08:30
by T. Ozaki
electrostatic PotentialDan114932012/03/23 08:27
by T. Ozaki
EXXJohnTse114212012/03/23 08:23
by T. Ozaki
GaAs test having discrepanciesGrigory Shamov114482012/03/23 03:19
by Grigory Shamov
problem with parallel runningDavid344412012/03/17 17:29
by Johny Tang
Size of basis setjlrch116462012/03/10 16:08
by Larry Fried
How to specify contracted basisLarry Fried122722012/03/10 09:18
by Larry Fried
is the example "MnO" in work folder of openmx 3.6 for fcc structure or rhombohedral? jam012582012/02/24 15:13
by jam
Installation procedure of openmx3.6 in CentOS 6.0 or 5.x: step by stepReda Boufatah 124862012/02/15 23:33
by Abdelouahab
Error when single atom system, scf.EigenvalueSolver is BandA. M. Ito147832012/01/21 04:15
by A. M. Ito
Errors after building OpenMX, illegal value info=-3 in dstevx_Grigory Shamov116732012/01/19 03:05
by Grigory Shamov
how to calculate and plot Projected Bulk Band StructureZhe026742012/01/16 19:12
by Zhe
A question about the momentum matrix elements calculationHung-Lung Huang367232012/01/04 18:31
by Sajad Ahmad
ask for VPS and PAO of Ce and Irchen014142012/01/04 06:37
by chen
optimization of the volumeSajad Ahmad014632012/01/02 20:52
by Sajad Ahmad
problen in makeali120042011/12/30 02:57
by Reda BOUFATAH
[openmx 3.6] DFT_DATA_PATH is undeclared in check_lead.c Reda Boufatah012402011/12/18 04:06
by Reda Boufatah
Format for "MD.Fixed.XYZ" in openmx3.5Zhe116192011/12/17 19:45
by T.Ozaki
how to set CC and LIB to compile openmx 3.6? Sajad Ahmad014282011/11/21 19:01
by Sajad Ahmad
how to create a nano system input file?ajaz013922011/11/19 15:05
by ajaz
openmx3.4 installation problemDaniel 325662011/11/19 12:32
by Dr. Amar Bahadur
variable cell relaxation in OpenMXJess118082011/11/18 18:43
by T.Ozaki
How to calculate Bulk Modulus using this codeSajad Ahmad421062011/11/16 20:34
by Sajad Ahmad
convergence problems with OpenMX 3.6Denis Music1375972011/11/16 14:42
by T.Ozaki
Problem with Band structureDimpy Sharma419042011/11/15 02:52
by Dimpy Sharma
OpenMX ver.3.6 compilation with -DnompiN.Kolchenko334052011/11/14 17:26
by T.Ozaki
Definition of Orbitals in version 3.6Hadi Arefi112962011/11/14 17:19
by T.Ozaki
patch3.6.1 to OpenMX Ver. 3.6T.Ozaki033052011/11/14 17:07
by T.Ozaki
Postprocessing - "Analysis of ..." N.Kolchenko218332011/11/13 02:26
by N.Kolchenko
Ab initio determination of Hubbard parameter UMauro Sgroi217072011/11/12 05:48
by Mauro Sgroi
Ghost orbitalHadi Arefi124852011/11/11 22:21
by T.Ozaki
New version of OpenMxDimpy Sharma117152011/11/11 22:16
by T.Ozaki
PAO and VPSRakesh Kar116372011/11/11 22:09
by T.Ozaki
The conventions for real spherical harmonics in OpenMXH.328632011/11/11 21:55
by T.Ozaki
Release of OpenMX Ver. 3.6T.Ozaki013562011/11/10 17:31
by T.Ozaki
scf convergence problemj230962011/11/03 07:46
by jhlee
Better convergence for larger number of processors in case non-collinear calculations with SOCJohannes Voss116792011/10/27 17:40
by N.Kolchenko
Strange Mulliken Populations using new PAO in NEGFSarah Jones226872011/10/18 17:47
by Sarah Jones
"oddity" with odd number of statesN.Kolchenko 236342011/10/12 20:27
by N.Kolchenko
EvsLC MD.Type?Reda BOUFATAH114712011/10/12 17:02
by T.Ozaki
Transport including spin-orbit interactionErnesto O. Wrasse114092011/10/10 02:26
by Jiwon
ADPACK Ver. 2.2, Database 2011, and patch for OpenMX Ver. 3.5T.Ozaki522292011/10/01 07:02
by N.Kolchenko

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