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Topics Author Replies Views Last Modified
Bug in function Cluster_collinearRenato Miceli816212011/05/13 21:41
by Renato Miceli
OpenMX CDWole112852011/05/04 21:49
by T. Ozaki
Memory & new versionJan Rusz119702011/05/04 21:08
by T. Ozaki
Dr.SciKuznetsov112102011/05/04 20:22
by T. Ozaki
hamiltonian matrix and overlap filesxianghui422442011/04/06 22:51
by xianghui
Electric transport calculations: errorDr Haider Abbas013902011/03/28 16:14
by Dr Haider Abbas
New development of OpenMXMauro Sgroi215482011/03/10 04:29
by Mauro Sgroi
Include external fileJan Sommer011452011/03/04 00:47
by Jan Sommer
Assigning initial charges to atoms in an input fileDerek Stewart114662011/03/03 11:07
by T.Ozaki
Collection of Utilities/Tools to create input filesJan Sommer013722011/03/02 23:58
by Jan Sommer
A few questions about adpack 2.1G. Faccin118982011/02/01 22:06
by T.Ozaki
tight binding parameter extractionJ. Chang226392011/01/13 02:07
by J. Chang
Difference Charge DensityGabriel Greene121832010/12/10 09:40
by T.Ozaki
Re: Difference Charge densityGabriel Greene012352010/12/10 00:14
by Gabriel Greene
BFGS results change with number of processorsSarah Jones116612010/12/02 23:20
by T.Ozaki
Minor patch for bandgnu13.cH. Jeong117082010/11/29 21:46
by T.Ozaki
ESPGabriel Greene218132010/11/26 23:37
by Gabriel Greene
Transmission calculations with non-collinear spin DFTWendy220362010/11/25 05:32
by Wendy
Ghost state in Cu TM KB pseudopotential as a function of local component choiceMilica022312010/11/17 04:32
by Milica
transport, # channelsGabriel Greene016972010/10/30 21:01
by Gabriel Greene
One-dimensional systems in OpenMX v3.4Lyudmila Fomina013032010/10/28 23:24
by Lyudmila Fomina
Installing ADPACK on MacElon Weintraub019692010/09/27 08:29
by Elon Weintraub
The imprimation of TRAN_Poisson for the boundary conditionYukihiro Okuno019762010/08/25 17:24
by Yukihiro Okuno
Hellman Feynman Force in NEGF calculationJuilian Josef017342010/08/18 23:04
by Juilian Josef
SCF problem with the same periodic structureDinh Loc Duong031082010/07/21 10:44
by Dinh Loc Duong
Transport with non collinear calculationJ. Chang017122010/06/28 04:14
by J. Chang
Negative transmission coefficient valuesPriyamvada Jadaun020762010/06/19 06:05
by Priyamvada Jadaun
Is the Orbital Optimization variational with rispect to the Total Energy?Mauro017642010/06/02 00:46
by Mauro
Band gap of carbon nanotube is dependent of cell size Dinh Loc Duong023502010/05/26 10:15
by Dinh Loc Duong
How to properly calculate atoms?jlrch016952010/05/20 04:21
by jlrch
61 atom Fe wire lead, achieving converganceGabriel Greene120962010/05/13 17:46
by JH Parq
Can not get the output file,ie *.out but can get other output files like *.std,*.cifDimpy 018592010/05/02 23:42
by Dimpy
Interatomic forces at close distancesDaniel119872010/04/22 05:29
by Daniel
A question about nanotube applicationsHonggyu Kim037682010/04/08 20:12
by Honggyu Kim
execution of oenmx in parallel environment (using mpirun) result in error failed to save rst fileharish019882010/04/08 09:39
by harish
one problem when running the calculationyang343912010/04/07 09:22
by yang
TranMain not compilingGabriel Greene110392010/04/04 19:43
by azamat
Can anyone tell me how to set the "Atoms.UnitVectors “?yang020682010/03/31 17:53
by yang
Density of states for a large semiconductor systemmiher018262010/03/30 23:03
by miher
Silver bulk modulusB.Martins025222010/03/15 03:43
by B.Martins
Vibration and PhononsMauro Sgroi023352010/02/24 22:45
by Mauro Sgroi
On the calculation of the band offset in OpenMXOkuno023122010/02/19 01:12
by Okuno
Optimizeshahryar zeynali017512010/02/05 03:09
by shahryar zeynali
Differing results from openmx -runtest for gcc and ifortJ. J. Ramsey468202010/02/03 15:52
by Kim, Minsung
heat conductivity within NEGF?Denis120142010/01/29 13:21
by T.Ozaki
Compare the chemical potential of two systemDinh Loc Duong140852010/01/29 13:18
by T.Ozaki
kGridshahryar zeynali016122010/01/17 03:29
by shahryar zeynali
input fileshahryar zeynali119042010/01/11 05:01
by shahryar zeynali
Required jafar azamat220482010/01/09 03:29
by shahryar zeynali
Workstation is hung-upT.Igarashi122462009/12/16 20:03
by mabeja

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