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Topics Author Replies Views Last Modified
slow convergence of small clusterssanjeev214252011/08/11 03:15
by N.Kolchenko
problem in band dispersionwsajad08292011/08/08 21:06
by wsajad
where to set gamma poin in the input file?wsajad08412011/08/06 15:08
by wsajad
Long directory path for argument DATA.PATH in the input file causes OpenMX to segfaultRenato Miceli111842011/08/05 01:47
by T.Ozaki
Spherical Bessel TransformJulio Aguiar111752011/08/02 00:14
by T.Ozaki
out-put vizualisationsanjeev111832011/07/30 00:42
by T.Ozaki
Utotal is positive and high enoughwsajad113182011/07/30 00:37
by T.Ozaki
Unexisting input file causes TranMain to segfaultRenato Miceli110282011/07/30 00:35
by T.Ozaki
error in calculations of dos wsajad518952011/07/25 15:10
by wsajad
Use of symmetry in OpenmxMauro Sgroi214452011/07/22 22:46
by Mauro Sgroi
why Uele is zero in NEGF (step2)?arlonne29432011/07/12 15:21
by arlonne
whether we are calculating for bulk or nanowsajad414672011/07/11 21:16
by T.Ozaki
error in running wsajad210552011/07/11 16:14
by wsajad
Atoms.SpeciesAndCoordinatesJulio Aguiar110772011/07/06 00:46
by T.Ozaki
input file for the sfc calculations of PbMnTe & CdMnTeidris29602011/06/30 16:47
by idri
Geometry optimization and restart files in parallel (on many nodes)Mauro Sgroi728342011/06/21 19:25
by Mauro Sgroi
GPUDenis Music111692011/06/09 01:01
by T.Ozaki
DOS calculation by OpenMxSheelan SC933502011/06/08 19:35
by Sheelan SC
DOS and NEGFAlejandro Leon217602011/06/01 15:29
by Sheelan SC
performance against Siesta, any impression?David315052011/05/29 21:42
by T.Ozaki
Transmission lida110632011/05/28 10:05
by T.Ozaki
DZP equivalent basisDavid514922011/05/25 23:48
by T.Ozaki
Release of OpenMX Ver.3.5T.Ozaki532762011/05/22 04:13
by David
question on MLWF in Noncolinear calculationjchang113602011/05/21 00:36
by T.Ozaki
Tight Binding parameter extract from MLWFKF125552011/05/20 23:27
by jchang
Bug in function Cluster_collinearRenato Miceli813182011/05/13 21:41
by Renato Miceli
OpenMX CDWole110302011/05/04 21:49
by T. Ozaki
Memory & new versionJan Rusz116632011/05/04 21:08
by T. Ozaki
Dr.SciKuznetsov19592011/05/04 20:22
by T. Ozaki
hamiltonian matrix and overlap filesxianghui419472011/04/06 22:51
by xianghui
Electric transport calculations: errorDr Haider Abbas011082011/03/28 16:14
by Dr Haider Abbas
New development of OpenMXMauro Sgroi212652011/03/10 04:29
by Mauro Sgroi
Include external fileJan Sommer08652011/03/04 00:47
by Jan Sommer
Assigning initial charges to atoms in an input fileDerek Stewart111742011/03/03 11:07
by T.Ozaki
Collection of Utilities/Tools to create input filesJan Sommer011092011/03/02 23:58
by Jan Sommer
A few questions about adpack 2.1G. Faccin116012011/02/01 22:06
by T.Ozaki
tight binding parameter extractionJ. Chang221712011/01/13 02:07
by J. Chang
Difference Charge DensityGabriel Greene118502010/12/10 09:40
by T.Ozaki
Re: Difference Charge densityGabriel Greene09702010/12/10 00:14
by Gabriel Greene
BFGS results change with number of processorsSarah Jones113552010/12/02 23:20
by T.Ozaki
Minor patch for bandgnu13.cH. Jeong114142010/11/29 21:46
by T.Ozaki
ESPGabriel Greene214952010/11/26 23:37
by Gabriel Greene
Transmission calculations with non-collinear spin DFTWendy217482010/11/25 05:32
by Wendy
Ghost state in Cu TM KB pseudopotential as a function of local component choiceMilica019442010/11/17 04:32
by Milica
transport, # channelsGabriel Greene014202010/10/30 21:01
by Gabriel Greene
One-dimensional systems in OpenMX v3.4Lyudmila Fomina010112010/10/28 23:24
by Lyudmila Fomina
Installing ADPACK on MacElon Weintraub016542010/09/27 08:29
by Elon Weintraub
The imprimation of TRAN_Poisson for the boundary conditionYukihiro Okuno016852010/08/25 17:24
by Yukihiro Okuno
Hellman Feynman Force in NEGF calculationJuilian Josef014752010/08/18 23:04
by Juilian Josef
SCF problem with the same periodic structureDinh Loc Duong026742010/07/21 10:44
by Dinh Loc Duong

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