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Topics Author Replies Views Last Modified
Problem in Orbital optimisationDimpy Sharma124562011/09/29 21:01
by T.Ozaki
about nanoscale cluster motifsanjeev singh126592011/09/26 21:42
by N.Kolchenko
AO and PAOJulio Aguiar226152011/09/07 07:06
by Julio Aguiar
bandgnu13.c compilation errorsanjeev124182011/09/07 00:54
by T.Ozaki
problems in band dispersionwsajad327842011/09/03 16:44
by Sajad Ahmad
Array index out of bounds causes segfault in TRAN_Set_CentOverlap.cRenato Miceli236582011/09/02 04:33
by Renato Miceli
Inlen ComposerXE (ver. 12) : optimazation errorA. M. Ito142822011/08/30 15:08
by T.Ozaki
The patch (Ver.3.5.2) of OpenMX Ver. 3.5T.Ozaki021972011/08/30 15:06
by T.Ozaki
vps calculated by LDAwsajad223332011/08/28 17:36
by wsajad
Fermi level is not at the middle of the gapDinh Loc Duong4107772011/08/26 17:43
by T.Ozaki
Enquiry with Band structureDimpy Sharma129132011/08/26 17:28
by T.Ozaki
Question about GGA+Urocdawn242262011/08/23 15:10
by wsajad
Atoms.UnitVectors.Unit wsajad125772011/08/22 03:34
by mahyar
constant magnetismGabriel Greene333132011/08/22 03:29
by mahyar
slow convergence of small clusterssanjeev230652011/08/11 03:15
by N.Kolchenko
problem in band dispersionwsajad021542011/08/08 21:06
by wsajad
where to set gamma poin in the input file?wsajad021642011/08/06 15:08
by wsajad
Long directory path for argument DATA.PATH in the input file causes OpenMX to segfaultRenato Miceli129582011/08/05 01:47
by T.Ozaki
Spherical Bessel TransformJulio Aguiar125792011/08/02 00:14
by T.Ozaki
out-put vizualisationsanjeev125412011/07/30 00:42
by T.Ozaki
Utotal is positive and high enoughwsajad128952011/07/30 00:37
by T.Ozaki
Unexisting input file causes TranMain to segfaultRenato Miceli124602011/07/30 00:35
by T.Ozaki
error in calculations of dos wsajad535152011/07/25 15:10
by wsajad
Use of symmetry in OpenmxMauro Sgroi233052011/07/22 22:46
by Mauro Sgroi
why Uele is zero in NEGF (step2)?arlonne222402011/07/12 15:21
by arlonne
whether we are calculating for bulk or nanowsajad428572011/07/11 21:16
by T.Ozaki
error in running wsajad226432011/07/11 16:14
by wsajad
Atoms.SpeciesAndCoordinatesJulio Aguiar125752011/07/06 00:46
by T.Ozaki
input file for the sfc calculations of PbMnTe & CdMnTeidris223602011/06/30 16:47
by idri
Geometry optimization and restart files in parallel (on many nodes)Mauro Sgroi745712011/06/21 19:25
by Mauro Sgroi
GPUDenis Music125842011/06/09 01:01
by T.Ozaki
DOS calculation by OpenMxSheelan SC956152011/06/08 19:35
by Sheelan SC
DOS and NEGFAlejandro Leon231502011/06/01 15:29
by Sheelan SC
performance against Siesta, any impression?David329892011/05/29 21:42
by T.Ozaki
Transmission lida125132011/05/28 10:05
by T.Ozaki
DZP equivalent basisDavid530032011/05/25 23:48
by T.Ozaki
Release of OpenMX Ver.3.5T.Ozaki549772011/05/22 04:13
by David
question on MLWF in Noncolinear calculationjchang129222011/05/21 00:36
by T.Ozaki
Tight Binding parameter extract from MLWFKF142012011/05/20 23:27
by jchang
Bug in function Cluster_collinearRenato Miceli828782011/05/13 21:41
by Renato Miceli
OpenMX CDWole123372011/05/04 21:49
by T. Ozaki
Memory & new versionJan Rusz132892011/05/04 21:08
by T. Ozaki
Dr.SciKuznetsov123182011/05/04 20:22
by T. Ozaki
hamiltonian matrix and overlap filesxianghui436672011/04/06 22:51
by xianghui
Electric transport calculations: errorDr Haider Abbas024642011/03/28 16:14
by Dr Haider Abbas
New development of OpenMXMauro Sgroi225712011/03/10 04:29
by Mauro Sgroi
Include external fileJan Sommer022242011/03/04 00:47
by Jan Sommer
Assigning initial charges to atoms in an input fileDerek Stewart127072011/03/03 11:07
by T.Ozaki
Collection of Utilities/Tools to create input filesJan Sommer025242011/03/02 23:58
by Jan Sommer
A few questions about adpack 2.1G. Faccin131652011/02/01 22:06
by T.Ozaki

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