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Topics Author Replies Views Last Modified
"oddity" with odd number of statesN.Kolchenko 248632011/10/12 20:27
by N.Kolchenko
EvsLC MD.Type?Reda BOUFATAH123782011/10/12 17:02
by T.Ozaki
Transport including spin-orbit interactionErnesto O. Wrasse123042011/10/10 02:26
by Jiwon
ADPACK Ver. 2.2, Database 2011, and patch for OpenMX Ver. 3.5T.Ozaki532572011/10/01 07:02
by N.Kolchenko
Segfaults during memory accesses in Band_DFT_Col.cRenato Miceli1183302011/10/01 00:45
by Renato Miceli
Problem in Orbital optimisationDimpy Sharma124932011/09/29 21:01
by T.Ozaki
about nanoscale cluster motifsanjeev singh127012011/09/26 21:42
by N.Kolchenko
AO and PAOJulio Aguiar226732011/09/07 07:06
by Julio Aguiar
bandgnu13.c compilation errorsanjeev124552011/09/07 00:54
by T.Ozaki
problems in band dispersionwsajad328302011/09/03 16:44
by Sajad Ahmad
Array index out of bounds causes segfault in TRAN_Set_CentOverlap.cRenato Miceli237152011/09/02 04:33
by Renato Miceli
Inlen ComposerXE (ver. 12) : optimazation errorA. M. Ito143392011/08/30 15:08
by T.Ozaki
The patch (Ver.3.5.2) of OpenMX Ver. 3.5T.Ozaki022252011/08/30 15:06
by T.Ozaki
vps calculated by LDAwsajad223882011/08/28 17:36
by wsajad
Fermi level is not at the middle of the gapDinh Loc Duong4108402011/08/26 17:43
by T.Ozaki
Enquiry with Band structureDimpy Sharma129582011/08/26 17:28
by T.Ozaki
Question about GGA+Urocdawn242722011/08/23 15:10
by wsajad
Atoms.UnitVectors.Unit wsajad126182011/08/22 03:34
by mahyar
constant magnetismGabriel Greene333572011/08/22 03:29
by mahyar
slow convergence of small clusterssanjeev231502011/08/11 03:15
by N.Kolchenko
problem in band dispersionwsajad021912011/08/08 21:06
by wsajad
where to set gamma poin in the input file?wsajad022022011/08/06 15:08
by wsajad
Long directory path for argument DATA.PATH in the input file causes OpenMX to segfaultRenato Miceli130032011/08/05 01:47
by T.Ozaki
Spherical Bessel TransformJulio Aguiar126172011/08/02 00:14
by T.Ozaki
out-put vizualisationsanjeev125752011/07/30 00:42
by T.Ozaki
Utotal is positive and high enoughwsajad129372011/07/30 00:37
by T.Ozaki
Unexisting input file causes TranMain to segfaultRenato Miceli125122011/07/30 00:35
by T.Ozaki
error in calculations of dos wsajad535732011/07/25 15:10
by wsajad
Use of symmetry in OpenmxMauro Sgroi233572011/07/22 22:46
by Mauro Sgroi
why Uele is zero in NEGF (step2)?arlonne222782011/07/12 15:21
by arlonne
whether we are calculating for bulk or nanowsajad429122011/07/11 21:16
by T.Ozaki
error in running wsajad227092011/07/11 16:14
by wsajad
Atoms.SpeciesAndCoordinatesJulio Aguiar126202011/07/06 00:46
by T.Ozaki
input file for the sfc calculations of PbMnTe & CdMnTeidris223992011/06/30 16:47
by idri
Geometry optimization and restart files in parallel (on many nodes)Mauro Sgroi746262011/06/21 19:25
by Mauro Sgroi
GPUDenis Music126202011/06/09 01:01
by T.Ozaki
DOS calculation by OpenMxSheelan SC956682011/06/08 19:35
by Sheelan SC
DOS and NEGFAlejandro Leon231922011/06/01 15:29
by Sheelan SC
performance against Siesta, any impression?David330452011/05/29 21:42
by T.Ozaki
Transmission lida125542011/05/28 10:05
by T.Ozaki
DZP equivalent basisDavid530422011/05/25 23:48
by T.Ozaki
Release of OpenMX Ver.3.5T.Ozaki550332011/05/22 04:13
by David
question on MLWF in Noncolinear calculationjchang129712011/05/21 00:36
by T.Ozaki
Tight Binding parameter extract from MLWFKF142392011/05/20 23:27
by jchang
Bug in function Cluster_collinearRenato Miceli829222011/05/13 21:41
by Renato Miceli
OpenMX CDWole123682011/05/04 21:49
by T. Ozaki
Memory & new versionJan Rusz133362011/05/04 21:08
by T. Ozaki
Dr.SciKuznetsov123532011/05/04 20:22
by T. Ozaki
hamiltonian matrix and overlap filesxianghui437772011/04/06 22:51
by xianghui
Electric transport calculations: errorDr Haider Abbas025012011/03/28 16:14
by Dr Haider Abbas

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