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Topics Author Replies Views Last Modified
Postprocessing - "Analysis of ..." N.Kolchenko216872011/11/13 02:26
by N.Kolchenko
Ab initio determination of Hubbard parameter UMauro Sgroi216162011/11/12 05:48
by Mauro Sgroi
Ghost orbitalHadi Arefi123532011/11/11 22:21
by T.Ozaki
New version of OpenMxDimpy Sharma116062011/11/11 22:16
by T.Ozaki
PAO and VPSRakesh Kar115412011/11/11 22:09
by T.Ozaki
The conventions for real spherical harmonics in OpenMXH.327522011/11/11 21:55
by T.Ozaki
Release of OpenMX Ver. 3.6T.Ozaki012462011/11/10 17:31
by T.Ozaki
scf convergence problemj229632011/11/03 07:46
by jhlee
Better convergence for larger number of processors in case non-collinear calculations with SOCJohannes Voss115952011/10/27 17:40
by N.Kolchenko
Strange Mulliken Populations using new PAO in NEGFSarah Jones225732011/10/18 17:47
by Sarah Jones
"oddity" with odd number of statesN.Kolchenko 235092011/10/12 20:27
by N.Kolchenko
EvsLC MD.Type?Reda BOUFATAH113752011/10/12 17:02
by T.Ozaki
Transport including spin-orbit interactionErnesto O. Wrasse113112011/10/10 02:26
by Jiwon
ADPACK Ver. 2.2, Database 2011, and patch for OpenMX Ver. 3.5T.Ozaki521172011/10/01 07:02
by N.Kolchenko
Segfaults during memory accesses in Band_DFT_Col.cRenato Miceli1167542011/10/01 00:45
by Renato Miceli
Problem in Orbital optimisationDimpy Sharma115292011/09/29 21:01
by T.Ozaki
about nanoscale cluster motifsanjeev singh117182011/09/26 21:42
by N.Kolchenko
AO and PAOJulio Aguiar216362011/09/07 07:06
by Julio Aguiar
bandgnu13.c compilation errorsanjeev114952011/09/07 00:54
by T.Ozaki
problems in band dispersionwsajad316192011/09/03 16:44
by Sajad Ahmad
Array index out of bounds causes segfault in TRAN_Set_CentOverlap.cRenato Miceli225042011/09/02 04:33
by Renato Miceli
Inlen ComposerXE (ver. 12) : optimazation errorA. M. Ito131732011/08/30 15:08
by T.Ozaki
The patch (Ver.3.5.2) of OpenMX Ver. 3.5T.Ozaki012772011/08/30 15:06
by T.Ozaki
vps calculated by LDAwsajad213632011/08/28 17:36
by wsajad
Fermi level is not at the middle of the gapDinh Loc Duong485752011/08/26 17:43
by T.Ozaki
Enquiry with Band structureDimpy Sharma118562011/08/26 17:28
by T.Ozaki
Question about GGA+Urocdawn229292011/08/23 15:10
by wsajad
Atoms.UnitVectors.Unit wsajad115432011/08/22 03:34
by mahyar
constant magnetismGabriel Greene323642011/08/22 03:29
by mahyar
slow convergence of small clusterssanjeev219262011/08/11 03:15
by N.Kolchenko
problem in band dispersionwsajad011912011/08/08 21:06
by wsajad
where to set gamma poin in the input file?wsajad012552011/08/06 15:08
by wsajad
Long directory path for argument DATA.PATH in the input file causes OpenMX to segfaultRenato Miceli117922011/08/05 01:47
by T.Ozaki
Spherical Bessel TransformJulio Aguiar116022011/08/02 00:14
by T.Ozaki
out-put vizualisationsanjeev115952011/07/30 00:42
by T.Ozaki
Utotal is positive and high enoughwsajad118162011/07/30 00:37
by T.Ozaki
Unexisting input file causes TranMain to segfaultRenato Miceli114222011/07/30 00:35
by T.Ozaki
error in calculations of dos wsajad524592011/07/25 15:10
by wsajad
Use of symmetry in OpenmxMauro Sgroi219202011/07/22 22:46
by Mauro Sgroi
why Uele is zero in NEGF (step2)?arlonne213302011/07/12 15:21
by arlonne
whether we are calculating for bulk or nanowsajad418922011/07/11 21:16
by T.Ozaki
error in running wsajad214722011/07/11 16:14
by wsajad
Atoms.SpeciesAndCoordinatesJulio Aguiar115232011/07/06 00:46
by T.Ozaki
input file for the sfc calculations of PbMnTe & CdMnTeidris213822011/06/30 16:47
by idri
Geometry optimization and restart files in parallel (on many nodes)Mauro Sgroi733752011/06/21 19:25
by Mauro Sgroi
GPUDenis Music115692011/06/09 01:01
by T.Ozaki
DOS calculation by OpenMxSheelan SC941582011/06/08 19:35
by Sheelan SC
DOS and NEGFAlejandro Leon221502011/06/01 15:29
by Sheelan SC
performance against Siesta, any impression?David319362011/05/29 21:42
by T.Ozaki
Transmission lida114272011/05/28 10:05
by T.Ozaki

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