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Topics Author Replies Views Last Modified
Postprocessing - "Analysis of ..." N.Kolchenko218892011/11/13 02:26
by N.Kolchenko
Ab initio determination of Hubbard parameter UMauro Sgroi217712011/11/12 05:48
by Mauro Sgroi
Ghost orbitalHadi Arefi125442011/11/11 22:21
by T.Ozaki
New version of OpenMxDimpy Sharma117772011/11/11 22:16
by T.Ozaki
PAO and VPSRakesh Kar116962011/11/11 22:09
by T.Ozaki
The conventions for real spherical harmonics in OpenMXH.329552011/11/11 21:55
by T.Ozaki
Release of OpenMX Ver. 3.6T.Ozaki014062011/11/10 17:31
by T.Ozaki
scf convergence problemj231742011/11/03 07:46
by jhlee
Better convergence for larger number of processors in case non-collinear calculations with SOCJohannes Voss117372011/10/27 17:40
by N.Kolchenko
Strange Mulliken Populations using new PAO in NEGFSarah Jones227562011/10/18 17:47
by Sarah Jones
"oddity" with odd number of statesN.Kolchenko 237242011/10/12 20:27
by N.Kolchenko
EvsLC MD.Type?Reda BOUFATAH115362011/10/12 17:02
by T.Ozaki
Transport including spin-orbit interactionErnesto O. Wrasse114772011/10/10 02:26
by Jiwon
ADPACK Ver. 2.2, Database 2011, and patch for OpenMX Ver. 3.5T.Ozaki522862011/10/01 07:02
by N.Kolchenko
Segfaults during memory accesses in Band_DFT_Col.cRenato Miceli1170052011/10/01 00:45
by Renato Miceli
Problem in Orbital optimisationDimpy Sharma117012011/09/29 21:01
by T.Ozaki
about nanoscale cluster motifsanjeev singh118912011/09/26 21:42
by N.Kolchenko
AO and PAOJulio Aguiar217882011/09/07 07:06
by Julio Aguiar
bandgnu13.c compilation errorsanjeev116632011/09/07 00:54
by T.Ozaki
problems in band dispersionwsajad318332011/09/03 16:44
by Sajad Ahmad
Array index out of bounds causes segfault in TRAN_Set_CentOverlap.cRenato Miceli226932011/09/02 04:33
by Renato Miceli
Inlen ComposerXE (ver. 12) : optimazation errorA. M. Ito133612011/08/30 15:08
by T.Ozaki
The patch (Ver.3.5.2) of OpenMX Ver. 3.5T.Ozaki014252011/08/30 15:06
by T.Ozaki
vps calculated by LDAwsajad215312011/08/28 17:36
by wsajad
Fermi level is not at the middle of the gapDinh Loc Duong489832011/08/26 17:43
by T.Ozaki
Enquiry with Band structureDimpy Sharma120292011/08/26 17:28
by T.Ozaki
Question about GGA+Urocdawn231392011/08/23 15:10
by wsajad
Atoms.UnitVectors.Unit wsajad117382011/08/22 03:34
by mahyar
constant magnetismGabriel Greene325242011/08/22 03:29
by mahyar
slow convergence of small clusterssanjeev221332011/08/11 03:15
by N.Kolchenko
problem in band dispersionwsajad013702011/08/08 21:06
by wsajad
where to set gamma poin in the input file?wsajad014172011/08/06 15:08
by wsajad
Long directory path for argument DATA.PATH in the input file causes OpenMX to segfaultRenato Miceli120172011/08/05 01:47
by T.Ozaki
Spherical Bessel TransformJulio Aguiar117592011/08/02 00:14
by T.Ozaki
out-put vizualisationsanjeev117772011/07/30 00:42
by T.Ozaki
Utotal is positive and high enoughwsajad120022011/07/30 00:37
by T.Ozaki
Unexisting input file causes TranMain to segfaultRenato Miceli115882011/07/30 00:35
by T.Ozaki
error in calculations of dos wsajad526802011/07/25 15:10
by wsajad
Use of symmetry in OpenmxMauro Sgroi221382011/07/22 22:46
by Mauro Sgroi
why Uele is zero in NEGF (step2)?arlonne214872011/07/12 15:21
by arlonne
whether we are calculating for bulk or nanowsajad420682011/07/11 21:16
by T.Ozaki
error in running wsajad216422011/07/11 16:14
by wsajad
Atoms.SpeciesAndCoordinatesJulio Aguiar117002011/07/06 00:46
by T.Ozaki
input file for the sfc calculations of PbMnTe & CdMnTeidris215692011/06/30 16:47
by idri
Geometry optimization and restart files in parallel (on many nodes)Mauro Sgroi735982011/06/21 19:25
by Mauro Sgroi
GPUDenis Music117312011/06/09 01:01
by T.Ozaki
DOS calculation by OpenMxSheelan SC944142011/06/08 19:35
by Sheelan SC
DOS and NEGFAlejandro Leon223032011/06/01 15:29
by Sheelan SC
performance against Siesta, any impression?David321002011/05/29 21:42
by T.Ozaki
Transmission lida115892011/05/28 10:05
by T.Ozaki

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