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Topics Author Replies Views Last Modified
Fermi level is not at the middle of the gapDinh Loc Duong482032011/08/26 17:43
by T.Ozaki
Enquiry with Band structureDimpy Sharma116832011/08/26 17:28
by T.Ozaki
Question about GGA+Urocdawn227092011/08/23 15:10
by wsajad
Atoms.UnitVectors.Unit wsajad113792011/08/22 03:34
by mahyar
constant magnetismGabriel Greene321692011/08/22 03:29
by mahyar
slow convergence of small clusterssanjeev217072011/08/11 03:15
by N.Kolchenko
problem in band dispersionwsajad010452011/08/08 21:06
by wsajad
where to set gamma poin in the input file?wsajad011032011/08/06 15:08
by wsajad
Long directory path for argument DATA.PATH in the input file causes OpenMX to segfaultRenato Miceli115392011/08/05 01:47
by T.Ozaki
Spherical Bessel TransformJulio Aguiar114392011/08/02 00:14
by T.Ozaki
out-put vizualisationsanjeev114272011/07/30 00:42
by T.Ozaki
Utotal is positive and high enoughwsajad116122011/07/30 00:37
by T.Ozaki
Unexisting input file causes TranMain to segfaultRenato Miceli112382011/07/30 00:35
by T.Ozaki
error in calculations of dos wsajad522202011/07/25 15:10
by wsajad
Use of symmetry in OpenmxMauro Sgroi217322011/07/22 22:46
by Mauro Sgroi
why Uele is zero in NEGF (step2)?arlonne211662011/07/12 15:21
by arlonne
whether we are calculating for bulk or nanowsajad416962011/07/11 21:16
by T.Ozaki
error in running wsajad213202011/07/11 16:14
by wsajad
Atoms.SpeciesAndCoordinatesJulio Aguiar113562011/07/06 00:46
by T.Ozaki
input file for the sfc calculations of PbMnTe & CdMnTeidris212042011/06/30 16:47
by idri
Geometry optimization and restart files in parallel (on many nodes)Mauro Sgroi731732011/06/21 19:25
by Mauro Sgroi
GPUDenis Music114202011/06/09 01:01
by T.Ozaki
DOS calculation by OpenMxSheelan SC937962011/06/08 19:35
by Sheelan SC
DOS and NEGFAlejandro Leon219932011/06/01 15:29
by Sheelan SC
performance against Siesta, any impression?David317722011/05/29 21:42
by T.Ozaki
Transmission lida112842011/05/28 10:05
by T.Ozaki
DZP equivalent basisDavid517572011/05/25 23:48
by T.Ozaki
Release of OpenMX Ver.3.5T.Ozaki535952011/05/22 04:13
by David
question on MLWF in Noncolinear calculationjchang116562011/05/21 00:36
by T.Ozaki
Tight Binding parameter extract from MLWFKF128542011/05/20 23:27
by jchang
Bug in function Cluster_collinearRenato Miceli815532011/05/13 21:41
by Renato Miceli
OpenMX CDWole112452011/05/04 21:49
by T. Ozaki
Memory & new versionJan Rusz119202011/05/04 21:08
by T. Ozaki
Dr.SciKuznetsov111672011/05/04 20:22
by T. Ozaki
hamiltonian matrix and overlap filesxianghui421942011/04/06 22:51
by xianghui
Electric transport calculations: errorDr Haider Abbas013442011/03/28 16:14
by Dr Haider Abbas
New development of OpenMXMauro Sgroi215032011/03/10 04:29
by Mauro Sgroi
Include external fileJan Sommer010922011/03/04 00:47
by Jan Sommer
Assigning initial charges to atoms in an input fileDerek Stewart114202011/03/03 11:07
by T.Ozaki
Collection of Utilities/Tools to create input filesJan Sommer013272011/03/02 23:58
by Jan Sommer
A few questions about adpack 2.1G. Faccin118382011/02/01 22:06
by T.Ozaki
tight binding parameter extractionJ. Chang225422011/01/13 02:07
by J. Chang
Difference Charge DensityGabriel Greene120992010/12/10 09:40
by T.Ozaki
Re: Difference Charge densityGabriel Greene011962010/12/10 00:14
by Gabriel Greene
BFGS results change with number of processorsSarah Jones116032010/12/02 23:20
by T.Ozaki
Minor patch for bandgnu13.cH. Jeong116512010/11/29 21:46
by T.Ozaki
ESPGabriel Greene217682010/11/26 23:37
by Gabriel Greene
Transmission calculations with non-collinear spin DFTWendy219922010/11/25 05:32
by Wendy
Ghost state in Cu TM KB pseudopotential as a function of local component choiceMilica021882010/11/17 04:32
by Milica
transport, # channelsGabriel Greene016512010/10/30 21:01
by Gabriel Greene

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