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Topics Author Replies Views Last Modified
electrostatic PotentialDan111632012/03/23 08:27
by T. Ozaki
EXXJohnTse110552012/03/23 08:23
by T. Ozaki
GaAs test having discrepanciesGrigory Shamov111512012/03/23 03:19
by Grigory Shamov
problem with parallel runningDavid330272012/03/17 17:29
by Johny Tang
Size of basis setjlrch112652012/03/10 16:08
by Larry Fried
How to specify contracted basisLarry Fried118402012/03/10 09:18
by Larry Fried
is the example "MnO" in work folder of openmx 3.6 for fcc structure or rhombohedral? jam09502012/02/24 15:13
by jam
Installation procedure of openmx3.6 in CentOS 6.0 or 5.x: step by stepReda Boufatah 121032012/02/15 23:33
by Abdelouahab
Error when single atom system, scf.EigenvalueSolver is BandA. M. Ito141452012/01/21 04:15
by A. M. Ito
Errors after building OpenMX, illegal value info=-3 in dstevx_Grigory Shamov113662012/01/19 03:05
by Grigory Shamov
how to calculate and plot Projected Bulk Band StructureZhe022162012/01/16 19:12
by Zhe
A question about the momentum matrix elements calculationHung-Lung Huang362282012/01/04 18:31
by Sajad Ahmad
ask for VPS and PAO of Ce and Irchen011112012/01/04 06:37
by chen
optimization of the volumeSajad Ahmad011512012/01/02 20:52
by Sajad Ahmad
problen in makeali116692011/12/30 02:57
by Reda BOUFATAH
[openmx 3.6] DFT_DATA_PATH is undeclared in check_lead.c Reda Boufatah09312011/12/18 04:06
by Reda Boufatah
Format for "MD.Fixed.XYZ" in openmx3.5Zhe112822011/12/17 19:45
by T.Ozaki
how to set CC and LIB to compile openmx 3.6? Sajad Ahmad010942011/11/21 19:01
by Sajad Ahmad
how to create a nano system input file?ajaz010562011/11/19 15:05
by ajaz
openmx3.4 installation problemDaniel 321222011/11/19 12:32
by Dr. Amar Bahadur
variable cell relaxation in OpenMXJess114782011/11/18 18:43
by T.Ozaki
How to calculate Bulk Modulus using this codeSajad Ahmad417682011/11/16 20:34
by Sajad Ahmad
convergence problems with OpenMX 3.6Denis Music1370012011/11/16 14:42
by T.Ozaki
Problem with Band structureDimpy Sharma415792011/11/15 02:52
by Dimpy Sharma
OpenMX ver.3.6 compilation with -DnompiN.Kolchenko330522011/11/14 17:26
by T.Ozaki
Definition of Orbitals in version 3.6Hadi Arefi18792011/11/14 17:19
by T.Ozaki
patch3.6.1 to OpenMX Ver. 3.6T.Ozaki029392011/11/14 17:07
by T.Ozaki
Postprocessing - "Analysis of ..." N.Kolchenko214632011/11/13 02:26
by N.Kolchenko
Ab initio determination of Hubbard parameter UMauro Sgroi213562011/11/12 05:48
by Mauro Sgroi
Ghost orbitalHadi Arefi120592011/11/11 22:21
by T.Ozaki
New version of OpenMxDimpy Sharma113462011/11/11 22:16
by T.Ozaki
PAO and VPSRakesh Kar113112011/11/11 22:09
by T.Ozaki
The conventions for real spherical harmonics in OpenMXH.325052011/11/11 21:55
by T.Ozaki
Release of OpenMX Ver. 3.6T.Ozaki010192011/11/10 17:31
by T.Ozaki
scf convergence problemj226822011/11/03 07:46
by jhlee
Better convergence for larger number of processors in case non-collinear calculations with SOCJohannes Voss113282011/10/27 17:40
by N.Kolchenko
Strange Mulliken Populations using new PAO in NEGFSarah Jones223172011/10/18 17:47
by Sarah Jones
"oddity" with odd number of statesN.Kolchenko 232132011/10/12 20:27
by N.Kolchenko
EvsLC MD.Type?Reda BOUFATAH111522011/10/12 17:02
by T.Ozaki
Transport including spin-orbit interactionErnesto O. Wrasse110882011/10/10 02:26
by Jiwon
ADPACK Ver. 2.2, Database 2011, and patch for OpenMX Ver. 3.5T.Ozaki518682011/10/01 07:02
by N.Kolchenko
Segfaults during memory accesses in Band_DFT_Col.cRenato Miceli1163472011/10/01 00:45
by Renato Miceli
Problem in Orbital optimisationDimpy Sharma113122011/09/29 21:01
by T.Ozaki
about nanoscale cluster motifsanjeev singh114822011/09/26 21:42
by N.Kolchenko
AO and PAOJulio Aguiar214212011/09/07 07:06
by Julio Aguiar
bandgnu13.c compilation errorsanjeev112612011/09/07 00:54
by T.Ozaki
problems in band dispersionwsajad313522011/09/03 16:44
by Sajad Ahmad
Array index out of bounds causes segfault in TRAN_Set_CentOverlap.cRenato Miceli221952011/09/02 04:33
by Renato Miceli
Inlen ComposerXE (ver. 12) : optimazation errorA. M. Ito129252011/08/30 15:08
by T.Ozaki
The patch (Ver.3.5.2) of OpenMX Ver. 3.5T.Ozaki010622011/08/30 15:06
by T.Ozaki

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