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Topics Author Replies Views Last Modified
BFGS results change with number of processorsSarah Jones126892010/12/02 23:20
by T.Ozaki
Minor patch for bandgnu13.cH. Jeong127622010/11/29 21:46
by T.Ozaki
ESPGabriel Greene230522010/11/26 23:37
by Gabriel Greene
Transmission calculations with non-collinear spin DFTWendy230532010/11/25 05:32
by Wendy
Ghost state in Cu TM KB pseudopotential as a function of local component choiceMilica033432010/11/17 04:32
by Milica
transport, # channelsGabriel Greene027992010/10/30 21:01
by Gabriel Greene
One-dimensional systems in OpenMX v3.4Lyudmila Fomina022642010/10/28 23:24
by Lyudmila Fomina
Installing ADPACK on MacElon Weintraub030832010/09/27 08:29
by Elon Weintraub
The imprimation of TRAN_Poisson for the boundary conditionYukihiro Okuno030542010/08/25 17:24
by Yukihiro Okuno
Hellman Feynman Force in NEGF calculationJuilian Josef027882010/08/18 23:04
by Juilian Josef
SCF problem with the same periodic structureDinh Loc Duong042702010/07/21 10:44
by Dinh Loc Duong
Transport with non collinear calculationJ. Chang027002010/06/28 04:14
by J. Chang
Negative transmission coefficient valuesPriyamvada Jadaun031602010/06/19 06:05
by Priyamvada Jadaun
Is the Orbital Optimization variational with rispect to the Total Energy?Mauro027372010/06/02 00:46
by Mauro
Band gap of carbon nanotube is dependent of cell size Dinh Loc Duong034182010/05/26 10:15
by Dinh Loc Duong
How to properly calculate atoms?jlrch026192010/05/20 04:21
by jlrch
61 atom Fe wire lead, achieving converganceGabriel Greene131172010/05/13 17:46
by JH Parq
Can not get the output file,ie *.out but can get other output files like *.std,*.cifDimpy 028272010/05/02 23:42
by Dimpy
Interatomic forces at close distancesDaniel129172010/04/22 05:29
by Daniel
A question about nanotube applicationsHonggyu Kim049002010/04/08 20:12
by Honggyu Kim
execution of oenmx in parallel environment (using mpirun) result in error failed to save rst fileharish030112010/04/08 09:39
by harish
one problem when running the calculationyang361012010/04/07 09:22
by yang
TranMain not compilingGabriel Greene120782010/04/04 19:43
by azamat
Can anyone tell me how to set the "Atoms.UnitVectors “?yang032572010/03/31 17:53
by yang
Density of states for a large semiconductor systemmiher029292010/03/30 23:03
by miher
Silver bulk modulusB.Martins036272010/03/15 03:43
by B.Martins
Vibration and PhononsMauro Sgroi034182010/02/24 22:45
by Mauro Sgroi
On the calculation of the band offset in OpenMXOkuno033842010/02/19 01:12
by Okuno
Optimizeshahryar zeynali027582010/02/05 03:09
by shahryar zeynali
Differing results from openmx -runtest for gcc and ifortJ. J. Ramsey479892010/02/03 15:52
by Kim, Minsung
heat conductivity within NEGF?Denis130652010/01/29 13:21
by T.Ozaki
Compare the chemical potential of two systemDinh Loc Duong154642010/01/29 13:18
by T.Ozaki
kGridshahryar zeynali026682010/01/17 03:29
by shahryar zeynali
input fileshahryar zeynali129252010/01/11 05:01
by shahryar zeynali
Required jafar azamat230192010/01/09 03:29
by shahryar zeynali
Workstation is hung-upT.Igarashi133202009/12/16 20:03
by mabeja
Problem compile OPENMX3.5Dinh Loc Duong232032009/12/01 19:10
by Rainer Heintzmann
Log Mesh of PAOLiao Chen132642009/12/01 13:19
by Masayuki Toyoda
DrR K Pandey229002009/11/07 04:13
by shahryar
Isotope effect Dinh Loc Duong227392009/11/05 17:37
by jafar azamat
Requiredjafar azamat026362009/11/01 20:09
by jafar azamat
The effective potentialYen-Hsun Su129562009/10/29 22:54
by T.Ozaki
A compilation problem of OpenMx 3.4.4 in Centos5.3wangdb885772009/09/01 02:38
by Phil
unit cell optimizationPhilip030322009/07/21 06:20
by Philip
Low memory utility rate kuofeng032192009/06/18 18:43
by kuofeng
Cube file for each time stepSpelnikov Dmitry031332009/06/10 19:43
by Spelnikov Dmitry
Bug in the function "Band_DFT_MO_NonCol" in every versionJeong030102009/06/04 23:01
by Jeong
openmx suspected memory leak?Alin M Elena034202009/05/20 19:00
by Alin M Elena
Parallel runs crash on one cluster but not the other Baruch Feldman135382009/05/08 18:52
by Baruch Feldman
Definition of chemical potential in OPENMXLoc Duong Dinh133662009/04/10 23:29
by Loc Duong Dinh

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