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Topics Author Replies Views Last Modified
DZP equivalent basisDavid522032011/05/25 23:48
by T.Ozaki
Release of OpenMX Ver.3.5T.Ozaki541652011/05/22 04:13
by David
question on MLWF in Noncolinear calculationjchang121062011/05/21 00:36
by T.Ozaki
Tight Binding parameter extract from MLWFKF133832011/05/20 23:27
by jchang
Bug in function Cluster_collinearRenato Miceli821392011/05/13 21:41
by Renato Miceli
OpenMX CDWole116742011/05/04 21:49
by T. Ozaki
Memory & new versionJan Rusz124662011/05/04 21:08
by T. Ozaki
Dr.SciKuznetsov116242011/05/04 20:22
by T. Ozaki
hamiltonian matrix and overlap filesxianghui427432011/04/06 22:51
by xianghui
Electric transport calculations: errorDr Haider Abbas017962011/03/28 16:14
by Dr Haider Abbas
New development of OpenMXMauro Sgroi219202011/03/10 04:29
by Mauro Sgroi
Include external fileJan Sommer015402011/03/04 00:47
by Jan Sommer
Assigning initial charges to atoms in an input fileDerek Stewart119172011/03/03 11:07
by T.Ozaki
Collection of Utilities/Tools to create input filesJan Sommer018052011/03/02 23:58
by Jan Sommer
A few questions about adpack 2.1G. Faccin123832011/02/01 22:06
by T.Ozaki
tight binding parameter extractionJ. Chang230832011/01/13 02:07
by J. Chang
Difference Charge DensityGabriel Greene126372010/12/10 09:40
by T.Ozaki
Re: Difference Charge densityGabriel Greene016332010/12/10 00:14
by Gabriel Greene
BFGS results change with number of processorsSarah Jones120542010/12/02 23:20
by T.Ozaki
Minor patch for bandgnu13.cH. Jeong121252010/11/29 21:46
by T.Ozaki
ESPGabriel Greene223482010/11/26 23:37
by Gabriel Greene
Transmission calculations with non-collinear spin DFTWendy224192010/11/25 05:32
by Wendy
Ghost state in Cu TM KB pseudopotential as a function of local component choiceMilica026352010/11/17 04:32
by Milica
transport, # channelsGabriel Greene021342010/10/30 21:01
by Gabriel Greene
One-dimensional systems in OpenMX v3.4Lyudmila Fomina016522010/10/28 23:24
by Lyudmila Fomina
Installing ADPACK on MacElon Weintraub024182010/09/27 08:29
by Elon Weintraub
The imprimation of TRAN_Poisson for the boundary conditionYukihiro Okuno023682010/08/25 17:24
by Yukihiro Okuno
Hellman Feynman Force in NEGF calculationJuilian Josef021322010/08/18 23:04
by Juilian Josef
SCF problem with the same periodic structureDinh Loc Duong035982010/07/21 10:44
by Dinh Loc Duong
Transport with non collinear calculationJ. Chang020932010/06/28 04:14
by J. Chang
Negative transmission coefficient valuesPriyamvada Jadaun025072010/06/19 06:05
by Priyamvada Jadaun
Is the Orbital Optimization variational with rispect to the Total Energy?Mauro021512010/06/02 00:46
by Mauro
Band gap of carbon nanotube is dependent of cell size Dinh Loc Duong027292010/05/26 10:15
by Dinh Loc Duong
How to properly calculate atoms?jlrch020502010/05/20 04:21
by jlrch
61 atom Fe wire lead, achieving converganceGabriel Greene124672010/05/13 17:46
by JH Parq
Can not get the output file,ie *.out but can get other output files like *.std,*.cifDimpy 022462010/05/02 23:42
by Dimpy
Interatomic forces at close distancesDaniel123422010/04/22 05:29
by Daniel
A question about nanotube applicationsHonggyu Kim042082010/04/08 20:12
by Honggyu Kim
execution of oenmx in parallel environment (using mpirun) result in error failed to save rst fileharish023462010/04/08 09:39
by harish
one problem when running the calculationyang351172010/04/07 09:22
by yang
TranMain not compilingGabriel Greene114292010/04/04 19:43
by azamat
Can anyone tell me how to set the "Atoms.UnitVectors “?yang024482010/03/31 17:53
by yang
Density of states for a large semiconductor systemmiher022042010/03/30 23:03
by miher
Silver bulk modulusB.Martins029312010/03/15 03:43
by B.Martins
Vibration and PhononsMauro Sgroi027372010/02/24 22:45
by Mauro Sgroi
On the calculation of the band offset in OpenMXOkuno027252010/02/19 01:12
by Okuno
Optimizeshahryar zeynali021252010/02/05 03:09
by shahryar zeynali
Differing results from openmx -runtest for gcc and ifortJ. J. Ramsey472872010/02/03 15:52
by Kim, Minsung
heat conductivity within NEGF?Denis124172010/01/29 13:21
by T.Ozaki
Compare the chemical potential of two systemDinh Loc Duong145932010/01/29 13:18
by T.Ozaki

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