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Topics Author Replies Views Last Modified
Assigning initial charges to atoms in an input fileDerek Stewart112732011/03/03 11:07
by T.Ozaki
Collection of Utilities/Tools to create input filesJan Sommer012002011/03/02 23:58
by Jan Sommer
A few questions about adpack 2.1G. Faccin116962011/02/01 22:06
by T.Ozaki
tight binding parameter extractionJ. Chang223262011/01/13 02:07
by J. Chang
Difference Charge DensityGabriel Greene119452010/12/10 09:40
by T.Ozaki
Re: Difference Charge densityGabriel Greene010712010/12/10 00:14
by Gabriel Greene
BFGS results change with number of processorsSarah Jones114432010/12/02 23:20
by T.Ozaki
Minor patch for bandgnu13.cH. Jeong114992010/11/29 21:46
by T.Ozaki
ESPGabriel Greene216152010/11/26 23:37
by Gabriel Greene
Transmission calculations with non-collinear spin DFTWendy218552010/11/25 05:32
by Wendy
Ghost state in Cu TM KB pseudopotential as a function of local component choiceMilica020412010/11/17 04:32
by Milica
transport, # channelsGabriel Greene015202010/10/30 21:01
by Gabriel Greene
One-dimensional systems in OpenMX v3.4Lyudmila Fomina011042010/10/28 23:24
by Lyudmila Fomina
Installing ADPACK on MacElon Weintraub017452010/09/27 08:29
by Elon Weintraub
The imprimation of TRAN_Poisson for the boundary conditionYukihiro Okuno017782010/08/25 17:24
by Yukihiro Okuno
Hellman Feynman Force in NEGF calculationJuilian Josef015602010/08/18 23:04
by Juilian Josef
SCF problem with the same periodic structureDinh Loc Duong027912010/07/21 10:44
by Dinh Loc Duong
Transport with non collinear calculationJ. Chang015142010/06/28 04:14
by J. Chang
Negative transmission coefficient valuesPriyamvada Jadaun018072010/06/19 06:05
by Priyamvada Jadaun
Is the Orbital Optimization variational with rispect to the Total Energy?Mauro015882010/06/02 00:46
by Mauro
Band gap of carbon nanotube is dependent of cell size Dinh Loc Duong021632010/05/26 10:15
by Dinh Loc Duong
How to properly calculate atoms?jlrch015322010/05/20 04:21
by jlrch
61 atom Fe wire lead, achieving converganceGabriel Greene119232010/05/13 17:46
by JH Parq
Can not get the output file,ie *.out but can get other output files like *.std,*.cifDimpy 016442010/05/02 23:42
by Dimpy
Interatomic forces at close distancesDaniel117702010/04/22 05:29
by Daniel
A question about nanotube applicationsHonggyu Kim035482010/04/08 20:12
by Honggyu Kim
execution of oenmx in parallel environment (using mpirun) result in error failed to save rst fileharish017822010/04/08 09:39
by harish
one problem when running the calculationyang340122010/04/07 09:22
by yang
TranMain not compilingGabriel Greene18492010/04/04 19:43
by azamat
Can anyone tell me how to set the "Atoms.UnitVectors “?yang018902010/03/31 17:53
by yang
Density of states for a large semiconductor systemmiher016522010/03/30 23:03
by miher
Silver bulk modulusB.Martins023152010/03/15 03:43
by B.Martins
Vibration and PhononsMauro Sgroi021272010/02/24 22:45
by Mauro Sgroi
On the calculation of the band offset in OpenMXOkuno021392010/02/19 01:12
by Okuno
Optimizeshahryar zeynali015892010/02/05 03:09
by shahryar zeynali
Differing results from openmx -runtest for gcc and ifortJ. J. Ramsey466062010/02/03 15:52
by Kim, Minsung
heat conductivity within NEGF?Denis118482010/01/29 13:21
by T.Ozaki
Compare the chemical potential of two systemDinh Loc Duong138512010/01/29 13:18
by T.Ozaki
kGridshahryar zeynali014372010/01/17 03:29
by shahryar zeynali
input fileshahryar zeynali117482010/01/11 05:01
by shahryar zeynali
Required jafar azamat218642010/01/09 03:29
by shahryar zeynali
Workstation is hung-upT.Igarashi119732009/12/16 20:03
by mabeja
Problem compile OPENMX3.5Dinh Loc Duong219952009/12/01 19:10
by Rainer Heintzmann
Log Mesh of PAOLiao Chen120552009/12/01 13:19
by Masayuki Toyoda
DrR K Pandey218142009/11/07 04:13
by shahryar
Isotope effect Dinh Loc Duong215612009/11/05 17:37
by jafar azamat
Requiredjafar azamat014772009/11/01 20:09
by jafar azamat
The effective potentialYen-Hsun Su116472009/10/29 22:54
by T.Ozaki
A compilation problem of OpenMx 3.4.4 in Centos5.3wangdb871252009/09/01 02:38
by Phil
unit cell optimizationPhilip018572009/07/21 06:20
by Philip

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