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Topics Author Replies Views Last Modified
Assigning initial charges to atoms in an input fileDerek Stewart127352011/03/03 11:07
by T.Ozaki
Collection of Utilities/Tools to create input filesJan Sommer025482011/03/02 23:58
by Jan Sommer
A few questions about adpack 2.1G. Faccin131852011/02/01 22:06
by T.Ozaki
tight binding parameter extractionJ. Chang239702011/01/13 02:07
by J. Chang
Difference Charge DensityGabriel Greene134202010/12/10 09:40
by T.Ozaki
Re: Difference Charge densityGabriel Greene023332010/12/10 00:14
by Gabriel Greene
BFGS results change with number of processorsSarah Jones127642010/12/02 23:20
by T.Ozaki
Minor patch for bandgnu13.cH. Jeong128462010/11/29 21:46
by T.Ozaki
ESPGabriel Greene231362010/11/26 23:37
by Gabriel Greene
Transmission calculations with non-collinear spin DFTWendy231182010/11/25 05:32
by Wendy
Ghost state in Cu TM KB pseudopotential as a function of local component choiceMilica034292010/11/17 04:32
by Milica
transport, # channelsGabriel Greene028652010/10/30 21:01
by Gabriel Greene
One-dimensional systems in OpenMX v3.4Lyudmila Fomina023242010/10/28 23:24
by Lyudmila Fomina
Installing ADPACK on MacElon Weintraub031542010/09/27 08:29
by Elon Weintraub
The imprimation of TRAN_Poisson for the boundary conditionYukihiro Okuno031442010/08/25 17:24
by Yukihiro Okuno
Hellman Feynman Force in NEGF calculationJuilian Josef028592010/08/18 23:04
by Juilian Josef
SCF problem with the same periodic structureDinh Loc Duong043512010/07/21 10:44
by Dinh Loc Duong
Transport with non collinear calculationJ. Chang027692010/06/28 04:14
by J. Chang
Negative transmission coefficient valuesPriyamvada Jadaun032322010/06/19 06:05
by Priyamvada Jadaun
Is the Orbital Optimization variational with rispect to the Total Energy?Mauro028072010/06/02 00:46
by Mauro
Band gap of carbon nanotube is dependent of cell size Dinh Loc Duong034842010/05/26 10:15
by Dinh Loc Duong
How to properly calculate atoms?jlrch026832010/05/20 04:21
by jlrch
61 atom Fe wire lead, achieving converganceGabriel Greene132052010/05/13 17:46
by JH Parq
Can not get the output file,ie *.out but can get other output files like *.std,*.cifDimpy 028992010/05/02 23:42
by Dimpy
Interatomic forces at close distancesDaniel129742010/04/22 05:29
by Daniel
A question about nanotube applicationsHonggyu Kim049862010/04/08 20:12
by Honggyu Kim
execution of oenmx in parallel environment (using mpirun) result in error failed to save rst fileharish030712010/04/08 09:39
by harish
one problem when running the calculationyang362172010/04/07 09:22
by yang
TranMain not compilingGabriel Greene121562010/04/04 19:43
by azamat
Can anyone tell me how to set the "Atoms.UnitVectors “?yang033642010/03/31 17:53
by yang
Density of states for a large semiconductor systemmiher030162010/03/30 23:03
by miher
Silver bulk modulusB.Martins037042010/03/15 03:43
by B.Martins
Vibration and PhononsMauro Sgroi034822010/02/24 22:45
by Mauro Sgroi
On the calculation of the band offset in OpenMXOkuno034532010/02/19 01:12
by Okuno
Optimizeshahryar zeynali028342010/02/05 03:09
by shahryar zeynali
Differing results from openmx -runtest for gcc and ifortJ. J. Ramsey480842010/02/03 15:52
by Kim, Minsung
heat conductivity within NEGF?Denis131272010/01/29 13:21
by T.Ozaki
Compare the chemical potential of two systemDinh Loc Duong155442010/01/29 13:18
by T.Ozaki
kGridshahryar zeynali027372010/01/17 03:29
by shahryar zeynali
input fileshahryar zeynali129912010/01/11 05:01
by shahryar zeynali
Required jafar azamat230912010/01/09 03:29
by shahryar zeynali
Workstation is hung-upT.Igarashi133902009/12/16 20:03
by mabeja
Problem compile OPENMX3.5Dinh Loc Duong232792009/12/01 19:10
by Rainer Heintzmann
Log Mesh of PAOLiao Chen133362009/12/01 13:19
by Masayuki Toyoda
DrR K Pandey229622009/11/07 04:13
by shahryar
Isotope effect Dinh Loc Duong228032009/11/05 17:37
by jafar azamat
Requiredjafar azamat026992009/11/01 20:09
by jafar azamat
The effective potentialYen-Hsun Su130282009/10/29 22:54
by T.Ozaki
A compilation problem of OpenMx 3.4.4 in Centos5.3wangdb886422009/09/01 02:38
by Phil
unit cell optimizationPhilip031002009/07/21 06:20
by Philip

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