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Topics Author Replies Views Last Modified
vps calculated by LDAwsajad211482011/08/28 17:36
by wsajad
Fermi level is not at the middle of the gapDinh Loc Duong480632011/08/26 17:43
by T.Ozaki
Enquiry with Band structureDimpy Sharma116172011/08/26 17:28
by T.Ozaki
Question about GGA+Urocdawn226202011/08/23 15:10
by wsajad
Atoms.UnitVectors.Unit wsajad113092011/08/22 03:34
by mahyar
constant magnetismGabriel Greene320782011/08/22 03:29
by mahyar
slow convergence of small clusterssanjeev216102011/08/11 03:15
by N.Kolchenko
problem in band dispersionwsajad09922011/08/08 21:06
by wsajad
where to set gamma poin in the input file?wsajad010312011/08/06 15:08
by wsajad
Long directory path for argument DATA.PATH in the input file causes OpenMX to segfaultRenato Miceli114282011/08/05 01:47
by T.Ozaki
Spherical Bessel TransformJulio Aguiar113632011/08/02 00:14
by T.Ozaki
out-put vizualisationsanjeev113642011/07/30 00:42
by T.Ozaki
Utotal is positive and high enoughwsajad115192011/07/30 00:37
by T.Ozaki
Unexisting input file causes TranMain to segfaultRenato Miceli111832011/07/30 00:35
by T.Ozaki
error in calculations of dos wsajad521232011/07/25 15:10
by wsajad
Use of symmetry in OpenmxMauro Sgroi216472011/07/22 22:46
by Mauro Sgroi
why Uele is zero in NEGF (step2)?arlonne211082011/07/12 15:21
by arlonne
whether we are calculating for bulk or nanowsajad416262011/07/11 21:16
by T.Ozaki
error in running wsajad212372011/07/11 16:14
by wsajad
Atoms.SpeciesAndCoordinatesJulio Aguiar112802011/07/06 00:46
by T.Ozaki
input file for the sfc calculations of PbMnTe & CdMnTeidris211352011/06/30 16:47
by idri
Geometry optimization and restart files in parallel (on many nodes)Mauro Sgroi730952011/06/21 19:25
by Mauro Sgroi
GPUDenis Music113512011/06/09 01:01
by T.Ozaki
DOS calculation by OpenMxSheelan SC936592011/06/08 19:35
by Sheelan SC
DOS and NEGFAlejandro Leon219312011/06/01 15:29
by Sheelan SC
performance against Siesta, any impression?David317072011/05/29 21:42
by T.Ozaki
Transmission lida112222011/05/28 10:05
by T.Ozaki
DZP equivalent basisDavid516922011/05/25 23:48
by T.Ozaki
Release of OpenMX Ver.3.5T.Ozaki535152011/05/22 04:13
by David
question on MLWF in Noncolinear calculationjchang115862011/05/21 00:36
by T.Ozaki
Tight Binding parameter extract from MLWFKF127652011/05/20 23:27
by jchang
Bug in function Cluster_collinearRenato Miceli814812011/05/13 21:41
by Renato Miceli
OpenMX CDWole111842011/05/04 21:49
by T. Ozaki
Memory & new versionJan Rusz118562011/05/04 21:08
by T. Ozaki
Dr.SciKuznetsov111102011/05/04 20:22
by T. Ozaki
hamiltonian matrix and overlap filesxianghui421292011/04/06 22:51
by xianghui
Electric transport calculations: errorDr Haider Abbas012832011/03/28 16:14
by Dr Haider Abbas
New development of OpenMXMauro Sgroi214302011/03/10 04:29
by Mauro Sgroi
Include external fileJan Sommer010282011/03/04 00:47
by Jan Sommer
Assigning initial charges to atoms in an input fileDerek Stewart113512011/03/03 11:07
by T.Ozaki
Collection of Utilities/Tools to create input filesJan Sommer012692011/03/02 23:58
by Jan Sommer
A few questions about adpack 2.1G. Faccin117662011/02/01 22:06
by T.Ozaki
tight binding parameter extractionJ. Chang224452011/01/13 02:07
by J. Chang
Difference Charge DensityGabriel Greene120182010/12/10 09:40
by T.Ozaki
Re: Difference Charge densityGabriel Greene011382010/12/10 00:14
by Gabriel Greene
BFGS results change with number of processorsSarah Jones115292010/12/02 23:20
by T.Ozaki
Minor patch for bandgnu13.cH. Jeong115832010/11/29 21:46
by T.Ozaki
ESPGabriel Greene217022010/11/26 23:37
by Gabriel Greene
Transmission calculations with non-collinear spin DFTWendy219242010/11/25 05:32
by Wendy
Ghost state in Cu TM KB pseudopotential as a function of local component choiceMilica021192010/11/17 04:32
by Milica

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