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Topics Author Replies Views Last Modified
error in calculations of dos wsajad530762011/07/25 15:10
by wsajad
Use of symmetry in OpenmxMauro Sgroi226102011/07/22 22:46
by Mauro Sgroi
why Uele is zero in NEGF (step2)?arlonne218322011/07/12 15:21
by arlonne
whether we are calculating for bulk or nanowsajad424032011/07/11 21:16
by T.Ozaki
error in running wsajad220432011/07/11 16:14
by wsajad
Atoms.SpeciesAndCoordinatesJulio Aguiar120572011/07/06 00:46
by T.Ozaki
input file for the sfc calculations of PbMnTe & CdMnTeidris219282011/06/30 16:47
by idri
Geometry optimization and restart files in parallel (on many nodes)Mauro Sgroi740492011/06/21 19:25
by Mauro Sgroi
GPUDenis Music121022011/06/09 01:01
by T.Ozaki
DOS calculation by OpenMxSheelan SC949722011/06/08 19:35
by Sheelan SC
DOS and NEGFAlejandro Leon226972011/06/01 15:29
by Sheelan SC
performance against Siesta, any impression?David324372011/05/29 21:42
by T.Ozaki
Transmission lida119692011/05/28 10:05
by T.Ozaki
DZP equivalent basisDavid524602011/05/25 23:48
by T.Ozaki
Release of OpenMX Ver.3.5T.Ozaki544792011/05/22 04:13
by David
question on MLWF in Noncolinear calculationjchang124172011/05/21 00:36
by T.Ozaki
Tight Binding parameter extract from MLWFKF137182011/05/20 23:27
by jchang
Bug in function Cluster_collinearRenato Miceli824152011/05/13 21:41
by Renato Miceli
OpenMX CDWole119252011/05/04 21:49
by T. Ozaki
Memory & new versionJan Rusz127692011/05/04 21:08
by T. Ozaki
Dr.SciKuznetsov118812011/05/04 20:22
by T. Ozaki
hamiltonian matrix and overlap filesxianghui430832011/04/06 22:51
by xianghui
Electric transport calculations: errorDr Haider Abbas020522011/03/28 16:14
by Dr Haider Abbas
New development of OpenMXMauro Sgroi221582011/03/10 04:29
by Mauro Sgroi
Include external fileJan Sommer018042011/03/04 00:47
by Jan Sommer
Assigning initial charges to atoms in an input fileDerek Stewart122022011/03/03 11:07
by T.Ozaki
Collection of Utilities/Tools to create input filesJan Sommer020572011/03/02 23:58
by Jan Sommer
A few questions about adpack 2.1G. Faccin126742011/02/01 22:06
by T.Ozaki
tight binding parameter extractionJ. Chang234062011/01/13 02:07
by J. Chang
Difference Charge DensityGabriel Greene129052010/12/10 09:40
by T.Ozaki
Re: Difference Charge densityGabriel Greene018902010/12/10 00:14
by Gabriel Greene
BFGS results change with number of processorsSarah Jones122992010/12/02 23:20
by T.Ozaki
Minor patch for bandgnu13.cH. Jeong123772010/11/29 21:46
by T.Ozaki
ESPGabriel Greene226462010/11/26 23:37
by Gabriel Greene
Transmission calculations with non-collinear spin DFTWendy226712010/11/25 05:32
by Wendy
Ghost state in Cu TM KB pseudopotential as a function of local component choiceMilica029132010/11/17 04:32
by Milica
transport, # channelsGabriel Greene024132010/10/30 21:01
by Gabriel Greene
One-dimensional systems in OpenMX v3.4Lyudmila Fomina018962010/10/28 23:24
by Lyudmila Fomina
Installing ADPACK on MacElon Weintraub027052010/09/27 08:29
by Elon Weintraub
The imprimation of TRAN_Poisson for the boundary conditionYukihiro Okuno026452010/08/25 17:24
by Yukihiro Okuno
Hellman Feynman Force in NEGF calculationJuilian Josef024002010/08/18 23:04
by Juilian Josef
SCF problem with the same periodic structureDinh Loc Duong038872010/07/21 10:44
by Dinh Loc Duong
Transport with non collinear calculationJ. Chang023402010/06/28 04:14
by J. Chang
Negative transmission coefficient valuesPriyamvada Jadaun027742010/06/19 06:05
by Priyamvada Jadaun
Is the Orbital Optimization variational with rispect to the Total Energy?Mauro023812010/06/02 00:46
by Mauro
Band gap of carbon nanotube is dependent of cell size Dinh Loc Duong030052010/05/26 10:15
by Dinh Loc Duong
How to properly calculate atoms?jlrch022652010/05/20 04:21
by jlrch
61 atom Fe wire lead, achieving converganceGabriel Greene127092010/05/13 17:46
by JH Parq
Can not get the output file,ie *.out but can get other output files like *.std,*.cifDimpy 024612010/05/02 23:42
by Dimpy
Interatomic forces at close distancesDaniel125602010/04/22 05:29
by Daniel

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