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Topics Author Replies Views Last Modified
scf convergence problemj237172011/11/03 07:46
by jhlee
Better convergence for larger number of processors in case non-collinear calculations with SOCJohannes Voss121402011/10/27 17:40
by N.Kolchenko
Strange Mulliken Populations using new PAO in NEGFSarah Jones232382011/10/18 17:47
by Sarah Jones
"oddity" with odd number of statesN.Kolchenko 242682011/10/12 20:27
by N.Kolchenko
EvsLC MD.Type?Reda BOUFATAH119622011/10/12 17:02
by T.Ozaki
Transport including spin-orbit interactionErnesto O. Wrasse119032011/10/10 02:26
by Jiwon
ADPACK Ver. 2.2, Database 2011, and patch for OpenMX Ver. 3.5T.Ozaki527822011/10/01 07:02
by N.Kolchenko
Segfaults during memory accesses in Band_DFT_Col.cRenato Miceli1176602011/10/01 00:45
by Renato Miceli
Problem in Orbital optimisationDimpy Sharma120912011/09/29 21:01
by T.Ozaki
about nanoscale cluster motifsanjeev singh122812011/09/26 21:42
by N.Kolchenko
AO and PAOJulio Aguiar222132011/09/07 07:06
by Julio Aguiar
bandgnu13.c compilation errorsanjeev120682011/09/07 00:54
by T.Ozaki
problems in band dispersionwsajad323822011/09/03 16:44
by Sajad Ahmad
Array index out of bounds causes segfault in TRAN_Set_CentOverlap.cRenato Miceli232142011/09/02 04:33
by Renato Miceli
Inlen ComposerXE (ver. 12) : optimazation errorA. M. Ito138922011/08/30 15:08
by T.Ozaki
The patch (Ver.3.5.2) of OpenMX Ver. 3.5T.Ozaki018332011/08/30 15:06
by T.Ozaki
vps calculated by LDAwsajad219292011/08/28 17:36
by wsajad
Fermi level is not at the middle of the gapDinh Loc Duong4100852011/08/26 17:43
by T.Ozaki
Enquiry with Band structureDimpy Sharma124652011/08/26 17:28
by T.Ozaki
Question about GGA+Urocdawn237082011/08/23 15:10
by wsajad
Atoms.UnitVectors.Unit wsajad121932011/08/22 03:34
by mahyar
constant magnetismGabriel Greene329452011/08/22 03:29
by mahyar
slow convergence of small clusterssanjeev226402011/08/11 03:15
by N.Kolchenko
problem in band dispersionwsajad017802011/08/08 21:06
by wsajad
where to set gamma poin in the input file?wsajad018112011/08/06 15:08
by wsajad
Long directory path for argument DATA.PATH in the input file causes OpenMX to segfaultRenato Miceli125092011/08/05 01:47
by T.Ozaki
Spherical Bessel TransformJulio Aguiar121692011/08/02 00:14
by T.Ozaki
out-put vizualisationsanjeev121772011/07/30 00:42
by T.Ozaki
Utotal is positive and high enoughwsajad124712011/07/30 00:37
by T.Ozaki
Unexisting input file causes TranMain to segfaultRenato Miceli120492011/07/30 00:35
by T.Ozaki
error in calculations of dos wsajad531302011/07/25 15:10
by wsajad
Use of symmetry in OpenmxMauro Sgroi226912011/07/22 22:46
by Mauro Sgroi
why Uele is zero in NEGF (step2)?arlonne218852011/07/12 15:21
by arlonne
whether we are calculating for bulk or nanowsajad424592011/07/11 21:16
by T.Ozaki
error in running wsajad221092011/07/11 16:14
by wsajad
Atoms.SpeciesAndCoordinatesJulio Aguiar121242011/07/06 00:46
by T.Ozaki
input file for the sfc calculations of PbMnTe & CdMnTeidris219952011/06/30 16:47
by idri
Geometry optimization and restart files in parallel (on many nodes)Mauro Sgroi741042011/06/21 19:25
by Mauro Sgroi
GPUDenis Music121572011/06/09 01:01
by T.Ozaki
DOS calculation by OpenMxSheelan SC950582011/06/08 19:35
by Sheelan SC
DOS and NEGFAlejandro Leon227562011/06/01 15:29
by Sheelan SC
performance against Siesta, any impression?David324932011/05/29 21:42
by T.Ozaki
Transmission lida120192011/05/28 10:05
by T.Ozaki
DZP equivalent basisDavid525192011/05/25 23:48
by T.Ozaki
Release of OpenMX Ver.3.5T.Ozaki545402011/05/22 04:13
by David
question on MLWF in Noncolinear calculationjchang124872011/05/21 00:36
by T.Ozaki
Tight Binding parameter extract from MLWFKF137782011/05/20 23:27
by jchang
Bug in function Cluster_collinearRenato Miceli824772011/05/13 21:41
by Renato Miceli
OpenMX CDWole119792011/05/04 21:49
by T. Ozaki
Memory & new versionJan Rusz128422011/05/04 21:08
by T. Ozaki

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