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Topics Author Replies Views Last Modified
Include external fileJan Sommer011242011/03/04 00:47
by Jan Sommer
Assigning initial charges to atoms in an input fileDerek Stewart114442011/03/03 11:07
by T.Ozaki
Collection of Utilities/Tools to create input filesJan Sommer013452011/03/02 23:58
by Jan Sommer
A few questions about adpack 2.1G. Faccin118582011/02/01 22:06
by T.Ozaki
tight binding parameter extractionJ. Chang226102011/01/13 02:07
by J. Chang
Difference Charge DensityGabriel Greene121452010/12/10 09:40
by T.Ozaki
Re: Difference Charge densityGabriel Greene012152010/12/10 00:14
by Gabriel Greene
BFGS results change with number of processorsSarah Jones116352010/12/02 23:20
by T.Ozaki
Minor patch for bandgnu13.cH. Jeong116892010/11/29 21:46
by T.Ozaki
ESPGabriel Greene217892010/11/26 23:37
by Gabriel Greene
Transmission calculations with non-collinear spin DFTWendy220112010/11/25 05:32
by Wendy
Ghost state in Cu TM KB pseudopotential as a function of local component choiceMilica022082010/11/17 04:32
by Milica
transport, # channelsGabriel Greene016732010/10/30 21:01
by Gabriel Greene
One-dimensional systems in OpenMX v3.4Lyudmila Fomina012832010/10/28 23:24
by Lyudmila Fomina
Installing ADPACK on MacElon Weintraub019462010/09/27 08:29
by Elon Weintraub
The imprimation of TRAN_Poisson for the boundary conditionYukihiro Okuno019532010/08/25 17:24
by Yukihiro Okuno
Hellman Feynman Force in NEGF calculationJuilian Josef017142010/08/18 23:04
by Juilian Josef
SCF problem with the same periodic structureDinh Loc Duong030712010/07/21 10:44
by Dinh Loc Duong
Transport with non collinear calculationJ. Chang016912010/06/28 04:14
by J. Chang
Negative transmission coefficient valuesPriyamvada Jadaun020502010/06/19 06:05
by Priyamvada Jadaun
Is the Orbital Optimization variational with rispect to the Total Energy?Mauro017412010/06/02 00:46
by Mauro
Band gap of carbon nanotube is dependent of cell size Dinh Loc Duong023252010/05/26 10:15
by Dinh Loc Duong
How to properly calculate atoms?jlrch016722010/05/20 04:21
by jlrch
61 atom Fe wire lead, achieving converganceGabriel Greene120742010/05/13 17:46
by JH Parq
Can not get the output file,ie *.out but can get other output files like *.std,*.cifDimpy 018312010/05/02 23:42
by Dimpy
Interatomic forces at close distancesDaniel119642010/04/22 05:29
by Daniel
A question about nanotube applicationsHonggyu Kim037452010/04/08 20:12
by Honggyu Kim
execution of oenmx in parallel environment (using mpirun) result in error failed to save rst fileharish019692010/04/08 09:39
by harish
one problem when running the calculationyang343302010/04/07 09:22
by yang
TranMain not compilingGabriel Greene110162010/04/04 19:43
by azamat
Can anyone tell me how to set the "Atoms.UnitVectors “?yang020432010/03/31 17:53
by yang
Density of states for a large semiconductor systemmiher018022010/03/30 23:03
by miher
Silver bulk modulusB.Martins024952010/03/15 03:43
by B.Martins
Vibration and PhononsMauro Sgroi023122010/02/24 22:45
by Mauro Sgroi
On the calculation of the band offset in OpenMXOkuno022892010/02/19 01:12
by Okuno
Optimizeshahryar zeynali017292010/02/05 03:09
by shahryar zeynali
Differing results from openmx -runtest for gcc and ifortJ. J. Ramsey467972010/02/03 15:52
by Kim, Minsung
heat conductivity within NEGF?Denis119902010/01/29 13:21
by T.Ozaki
Compare the chemical potential of two systemDinh Loc Duong140582010/01/29 13:18
by T.Ozaki
kGridshahryar zeynali015862010/01/17 03:29
by shahryar zeynali
input fileshahryar zeynali118852010/01/11 05:01
by shahryar zeynali
Required jafar azamat220262010/01/09 03:29
by shahryar zeynali
Workstation is hung-upT.Igarashi122192009/12/16 20:03
by mabeja
Problem compile OPENMX3.5Dinh Loc Duong221662009/12/01 19:10
by Rainer Heintzmann
Log Mesh of PAOLiao Chen122392009/12/01 13:19
by Masayuki Toyoda
DrR K Pandey219492009/11/07 04:13
by shahryar
Isotope effect Dinh Loc Duong217132009/11/05 17:37
by jafar azamat
Requiredjafar azamat016412009/11/01 20:09
by jafar azamat
The effective potentialYen-Hsun Su118302009/10/29 22:54
by T.Ozaki
A compilation problem of OpenMx 3.4.4 in Centos5.3wangdb873982009/09/01 02:38
by Phil

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