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Topics Author Replies Views Last Modified
Ghost orbitalHadi Arefi119162011/11/11 22:21
by T.Ozaki
New version of OpenMxDimpy Sharma112172011/11/11 22:16
by T.Ozaki
PAO and VPSRakesh Kar111722011/11/11 22:09
by T.Ozaki
The conventions for real spherical harmonics in OpenMXH.323642011/11/11 21:55
by T.Ozaki
Release of OpenMX Ver. 3.6T.Ozaki08872011/11/10 17:31
by T.Ozaki
scf convergence problemj225022011/11/03 07:46
by jhlee
Better convergence for larger number of processors in case non-collinear calculations with SOCJohannes Voss111892011/10/27 17:40
by N.Kolchenko
Strange Mulliken Populations using new PAO in NEGFSarah Jones221502011/10/18 17:47
by Sarah Jones
"oddity" with odd number of statesN.Kolchenko 230582011/10/12 20:27
by N.Kolchenko
EvsLC MD.Type?Reda BOUFATAH110212011/10/12 17:02
by T.Ozaki
Transport including spin-orbit interactionErnesto O. Wrasse19662011/10/10 02:26
by Jiwon
ADPACK Ver. 2.2, Database 2011, and patch for OpenMX Ver. 3.5T.Ozaki517142011/10/01 07:02
by N.Kolchenko
Segfaults during memory accesses in Band_DFT_Col.cRenato Miceli1161062011/10/01 00:45
by Renato Miceli
Problem in Orbital optimisationDimpy Sharma111722011/09/29 21:01
by T.Ozaki
about nanoscale cluster motifsanjeev singh113432011/09/26 21:42
by N.Kolchenko
AO and PAOJulio Aguiar212732011/09/07 07:06
by Julio Aguiar
bandgnu13.c compilation errorsanjeev111372011/09/07 00:54
by T.Ozaki
problems in band dispersionwsajad311782011/09/03 16:44
by Sajad Ahmad
Array index out of bounds causes segfault in TRAN_Set_CentOverlap.cRenato Miceli220212011/09/02 04:33
by Renato Miceli
Inlen ComposerXE (ver. 12) : optimazation errorA. M. Ito127952011/08/30 15:08
by T.Ozaki
The patch (Ver.3.5.2) of OpenMX Ver. 3.5T.Ozaki09442011/08/30 15:06
by T.Ozaki
vps calculated by LDAwsajad210202011/08/28 17:36
by wsajad
Fermi level is not at the middle of the gapDinh Loc Duong478292011/08/26 17:43
by T.Ozaki
Enquiry with Band structureDimpy Sharma114672011/08/26 17:28
by T.Ozaki
Question about GGA+Urocdawn224412011/08/23 15:10
by wsajad
Atoms.UnitVectors.Unit wsajad111702011/08/22 03:34
by mahyar
constant magnetismGabriel Greene319312011/08/22 03:29
by mahyar
slow convergence of small clusterssanjeev214632011/08/11 03:15
by N.Kolchenko
problem in band dispersionwsajad08722011/08/08 21:06
by wsajad
where to set gamma poin in the input file?wsajad08832011/08/06 15:08
by wsajad
Long directory path for argument DATA.PATH in the input file causes OpenMX to segfaultRenato Miceli112252011/08/05 01:47
by T.Ozaki
Spherical Bessel TransformJulio Aguiar112162011/08/02 00:14
by T.Ozaki
out-put vizualisationsanjeev112312011/07/30 00:42
by T.Ozaki
Utotal is positive and high enoughwsajad113622011/07/30 00:37
by T.Ozaki
Unexisting input file causes TranMain to segfaultRenato Miceli110622011/07/30 00:35
by T.Ozaki
error in calculations of dos wsajad519332011/07/25 15:10
by wsajad
Use of symmetry in OpenmxMauro Sgroi214822011/07/22 22:46
by Mauro Sgroi
why Uele is zero in NEGF (step2)?arlonne29772011/07/12 15:21
by arlonne
whether we are calculating for bulk or nanowsajad415002011/07/11 21:16
by T.Ozaki
error in running wsajad210902011/07/11 16:14
by wsajad
Atoms.SpeciesAndCoordinatesJulio Aguiar111262011/07/06 00:46
by T.Ozaki
input file for the sfc calculations of PbMnTe & CdMnTeidris29982011/06/30 16:47
by idri
Geometry optimization and restart files in parallel (on many nodes)Mauro Sgroi729072011/06/21 19:25
by Mauro Sgroi
GPUDenis Music112092011/06/09 01:01
by T.Ozaki
DOS calculation by OpenMxSheelan SC934132011/06/08 19:35
by Sheelan SC
DOS and NEGFAlejandro Leon218042011/06/01 15:29
by Sheelan SC
performance against Siesta, any impression?David315572011/05/29 21:42
by T.Ozaki
Transmission lida111082011/05/28 10:05
by T.Ozaki
DZP equivalent basisDavid515462011/05/25 23:48
by T.Ozaki
Release of OpenMX Ver.3.5T.Ozaki533212011/05/22 04:13
by David

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