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Topics Author Replies Views Last Modified
problem with parallel runningDavid325312012/03/17 17:29
by Johny Tang
Size of basis setjlrch110802012/03/10 16:08
by Larry Fried
How to specify contracted basisLarry Fried116552012/03/10 09:18
by Larry Fried
is the example "MnO" in work folder of openmx 3.6 for fcc structure or rhombohedral? jam07842012/02/24 15:13
by jam
Installation procedure of openmx3.6 in CentOS 6.0 or 5.x: step by stepReda Boufatah 119222012/02/15 23:33
by Abdelouahab
Error when single atom system, scf.EigenvalueSolver is BandA. M. Ito137432012/01/21 04:15
by A. M. Ito
Errors after building OpenMX, illegal value info=-3 in dstevx_Grigory Shamov112202012/01/19 03:05
by Grigory Shamov
how to calculate and plot Projected Bulk Band StructureZhe018882012/01/16 19:12
by Zhe
A question about the momentum matrix elements calculationHung-Lung Huang359472012/01/04 18:31
by Sajad Ahmad
ask for VPS and PAO of Ce and Irchen09672012/01/04 06:37
by chen
optimization of the volumeSajad Ahmad09962012/01/02 20:52
by Sajad Ahmad
problen in makeali114862011/12/30 02:57
[openmx 3.6] DFT_DATA_PATH is undeclared in check_lead.c Reda Boufatah07792011/12/18 04:06
by Reda Boufatah
Format for "MD.Fixed.XYZ" in openmx3.5Zhe111172011/12/17 19:45
by T.Ozaki
how to set CC and LIB to compile openmx 3.6? Sajad Ahmad09352011/11/21 19:01
by Sajad Ahmad
how to create a nano system input file?ajaz08892011/11/19 15:05
by ajaz
openmx3.4 installation problemDaniel 318582011/11/19 12:32
by Dr. Amar Bahadur
variable cell relaxation in OpenMXJess113042011/11/18 18:43
by T.Ozaki
How to calculate Bulk Modulus using this codeSajad Ahmad415842011/11/16 20:34
by Sajad Ahmad
convergence problems with OpenMX 3.6Denis Music1366902011/11/16 14:42
by T.Ozaki
Problem with Band structureDimpy Sharma413562011/11/15 02:52
by Dimpy Sharma
OpenMX ver.3.6 compilation with -DnompiN.Kolchenko328602011/11/14 17:26
by T.Ozaki
Definition of Orbitals in version 3.6Hadi Arefi16992011/11/14 17:19
by T.Ozaki
patch3.6.1 to OpenMX Ver. 3.6T.Ozaki027762011/11/14 17:07
by T.Ozaki
Postprocessing - "Analysis of ..." N.Kolchenko212842011/11/13 02:26
by N.Kolchenko
Ab initio determination of Hubbard parameter UMauro Sgroi211492011/11/12 05:48
by Mauro Sgroi
Ghost orbitalHadi Arefi118702011/11/11 22:21
by T.Ozaki
New version of OpenMxDimpy Sharma111682011/11/11 22:16
by T.Ozaki
PAO and VPSRakesh Kar111312011/11/11 22:09
by T.Ozaki
The conventions for real spherical harmonics in OpenMXH.323192011/11/11 21:55
by T.Ozaki
Release of OpenMX Ver. 3.6T.Ozaki08402011/11/10 17:31
by T.Ozaki
scf convergence problemj224602011/11/03 07:46
by jhlee
Better convergence for larger number of processors in case non-collinear calculations with SOCJohannes Voss111372011/10/27 17:40
by N.Kolchenko
Strange Mulliken Populations using new PAO in NEGFSarah Jones221102011/10/18 17:47
by Sarah Jones
"oddity" with odd number of statesN.Kolchenko 230192011/10/12 20:27
by N.Kolchenko
EvsLC MD.Type?Reda BOUFATAH19702011/10/12 17:02
by T.Ozaki
Transport including spin-orbit interactionErnesto O. Wrasse19292011/10/10 02:26
by Jiwon
ADPACK Ver. 2.2, Database 2011, and patch for OpenMX Ver. 3.5T.Ozaki516732011/10/01 07:02
by N.Kolchenko
Segfaults during memory accesses in Band_DFT_Col.cRenato Miceli1160722011/10/01 00:45
by Renato Miceli
Problem in Orbital optimisationDimpy Sharma111262011/09/29 21:01
by T.Ozaki
about nanoscale cluster motifsanjeev singh112972011/09/26 21:42
by N.Kolchenko
AO and PAOJulio Aguiar212182011/09/07 07:06
by Julio Aguiar
bandgnu13.c compilation errorsanjeev110962011/09/07 00:54
by T.Ozaki
problems in band dispersionwsajad311382011/09/03 16:44
by Sajad Ahmad
Array index out of bounds causes segfault in TRAN_Set_CentOverlap.cRenato Miceli219592011/09/02 04:33
by Renato Miceli
Inlen ComposerXE (ver. 12) : optimazation errorA. M. Ito127522011/08/30 15:08
by T.Ozaki
The patch (Ver.3.5.2) of OpenMX Ver. 3.5T.Ozaki09022011/08/30 15:06
by T.Ozaki
vps calculated by LDAwsajad29922011/08/28 17:36
by wsajad
Fermi level is not at the middle of the gapDinh Loc Duong477562011/08/26 17:43
by T.Ozaki
Enquiry with Band structureDimpy Sharma114222011/08/26 17:28
by T.Ozaki

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