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Topics Author Replies Views Last Modified
Problem in Orbital optimisationDimpy Sharma119412011/09/29 21:01
by T.Ozaki
about nanoscale cluster motifsanjeev singh121252011/09/26 21:42
by N.Kolchenko
AO and PAOJulio Aguiar220432011/09/07 07:06
by Julio Aguiar
bandgnu13.c compilation errorsanjeev119062011/09/07 00:54
by T.Ozaki
problems in band dispersionwsajad321852011/09/03 16:44
by Sajad Ahmad
Array index out of bounds causes segfault in TRAN_Set_CentOverlap.cRenato Miceli230162011/09/02 04:33
by Renato Miceli
Inlen ComposerXE (ver. 12) : optimazation errorA. M. Ito136842011/08/30 15:08
by T.Ozaki
The patch (Ver.3.5.2) of OpenMX Ver. 3.5T.Ozaki016782011/08/30 15:06
by T.Ozaki
vps calculated by LDAwsajad217762011/08/28 17:36
by wsajad
Fermi level is not at the middle of the gapDinh Loc Duong497392011/08/26 17:43
by T.Ozaki
Enquiry with Band structureDimpy Sharma122932011/08/26 17:28
by T.Ozaki
Question about GGA+Urocdawn234692011/08/23 15:10
by wsajad
Atoms.UnitVectors.Unit wsajad120282011/08/22 03:34
by mahyar
constant magnetismGabriel Greene327792011/08/22 03:29
by mahyar
slow convergence of small clusterssanjeev224602011/08/11 03:15
by N.Kolchenko
problem in band dispersionwsajad016312011/08/08 21:06
by wsajad
where to set gamma poin in the input file?wsajad016592011/08/06 15:08
by wsajad
Long directory path for argument DATA.PATH in the input file causes OpenMX to segfaultRenato Miceli123112011/08/05 01:47
by T.Ozaki
Spherical Bessel TransformJulio Aguiar119982011/08/02 00:14
by T.Ozaki
out-put vizualisationsanjeev120252011/07/30 00:42
by T.Ozaki
Utotal is positive and high enoughwsajad122972011/07/30 00:37
by T.Ozaki
Unexisting input file causes TranMain to segfaultRenato Miceli118532011/07/30 00:35
by T.Ozaki
error in calculations of dos wsajad529532011/07/25 15:10
by wsajad
Use of symmetry in OpenmxMauro Sgroi224852011/07/22 22:46
by Mauro Sgroi
why Uele is zero in NEGF (step2)?arlonne217242011/07/12 15:21
by arlonne
whether we are calculating for bulk or nanowsajad423042011/07/11 21:16
by T.Ozaki
error in running wsajad219082011/07/11 16:14
by wsajad
Atoms.SpeciesAndCoordinatesJulio Aguiar119462011/07/06 00:46
by T.Ozaki
input file for the sfc calculations of PbMnTe & CdMnTeidris218212011/06/30 16:47
by idri
Geometry optimization and restart files in parallel (on many nodes)Mauro Sgroi739112011/06/21 19:25
by Mauro Sgroi
GPUDenis Music119822011/06/09 01:01
by T.Ozaki
DOS calculation by OpenMxSheelan SC947792011/06/08 19:35
by Sheelan SC
DOS and NEGFAlejandro Leon225662011/06/01 15:29
by Sheelan SC
performance against Siesta, any impression?David323242011/05/29 21:42
by T.Ozaki
Transmission lida118492011/05/28 10:05
by T.Ozaki
DZP equivalent basisDavid523572011/05/25 23:48
by T.Ozaki
Release of OpenMX Ver.3.5T.Ozaki543502011/05/22 04:13
by David
question on MLWF in Noncolinear calculationjchang122752011/05/21 00:36
by T.Ozaki
Tight Binding parameter extract from MLWFKF135902011/05/20 23:27
by jchang
Bug in function Cluster_collinearRenato Miceli822952011/05/13 21:41
by Renato Miceli
OpenMX CDWole118162011/05/04 21:49
by T. Ozaki
Memory & new versionJan Rusz126422011/05/04 21:08
by T. Ozaki
Dr.SciKuznetsov117732011/05/04 20:22
by T. Ozaki
hamiltonian matrix and overlap filesxianghui429322011/04/06 22:51
by xianghui
Electric transport calculations: errorDr Haider Abbas019402011/03/28 16:14
by Dr Haider Abbas
New development of OpenMXMauro Sgroi220602011/03/10 04:29
by Mauro Sgroi
Include external fileJan Sommer016892011/03/04 00:47
by Jan Sommer
Assigning initial charges to atoms in an input fileDerek Stewart120872011/03/03 11:07
by T.Ozaki
Collection of Utilities/Tools to create input filesJan Sommer019362011/03/02 23:58
by Jan Sommer
A few questions about adpack 2.1G. Faccin125582011/02/01 22:06
by T.Ozaki

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