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Topics Author Replies Views Last Modified
Ghost state in Cu TM KB pseudopotential as a function of local component choiceMilica024882010/11/17 04:32
by Milica
transport, # channelsGabriel Greene019942010/10/30 21:01
by Gabriel Greene
One-dimensional systems in OpenMX v3.4Lyudmila Fomina015452010/10/28 23:24
by Lyudmila Fomina
Installing ADPACK on MacElon Weintraub022652010/09/27 08:29
by Elon Weintraub
The imprimation of TRAN_Poisson for the boundary conditionYukihiro Okuno022252010/08/25 17:24
by Yukihiro Okuno
Hellman Feynman Force in NEGF calculationJuilian Josef019862010/08/18 23:04
by Juilian Josef
SCF problem with the same periodic structureDinh Loc Duong034142010/07/21 10:44
by Dinh Loc Duong
Transport with non collinear calculationJ. Chang019622010/06/28 04:14
by J. Chang
Negative transmission coefficient valuesPriyamvada Jadaun023522010/06/19 06:05
by Priyamvada Jadaun
Is the Orbital Optimization variational with rispect to the Total Energy?Mauro020142010/06/02 00:46
by Mauro
Band gap of carbon nanotube is dependent of cell size Dinh Loc Duong026032010/05/26 10:15
by Dinh Loc Duong
How to properly calculate atoms?jlrch019362010/05/20 04:21
by jlrch
61 atom Fe wire lead, achieving converganceGabriel Greene123372010/05/13 17:46
by JH Parq
Can not get the output file,ie *.out but can get other output files like *.std,*.cifDimpy 021242010/05/02 23:42
by Dimpy
Interatomic forces at close distancesDaniel122212010/04/22 05:29
by Daniel
A question about nanotube applicationsHonggyu Kim040402010/04/08 20:12
by Honggyu Kim
execution of oenmx in parallel environment (using mpirun) result in error failed to save rst fileharish022232010/04/08 09:39
by harish
one problem when running the calculationyang348762010/04/07 09:22
by yang
TranMain not compilingGabriel Greene112992010/04/04 19:43
by azamat
Can anyone tell me how to set the "Atoms.UnitVectors “?yang023262010/03/31 17:53
by yang
Density of states for a large semiconductor systemmiher020742010/03/30 23:03
by miher
Silver bulk modulusB.Martins028042010/03/15 03:43
by B.Martins
Vibration and PhononsMauro Sgroi026132010/02/24 22:45
by Mauro Sgroi
On the calculation of the band offset in OpenMXOkuno025762010/02/19 01:12
by Okuno
Optimizeshahryar zeynali019972010/02/05 03:09
by shahryar zeynali
Differing results from openmx -runtest for gcc and ifortJ. J. Ramsey471242010/02/03 15:52
by Kim, Minsung
heat conductivity within NEGF?Denis122902010/01/29 13:21
by T.Ozaki
Compare the chemical potential of two systemDinh Loc Duong144172010/01/29 13:18
by T.Ozaki
kGridshahryar zeynali018742010/01/17 03:29
by shahryar zeynali
input fileshahryar zeynali121622010/01/11 05:01
by shahryar zeynali
Required jafar azamat222862010/01/09 03:29
by shahryar zeynali
Workstation is hung-upT.Igarashi125202009/12/16 20:03
by mabeja
Problem compile OPENMX3.5Dinh Loc Duong224442009/12/01 19:10
by Rainer Heintzmann
Log Mesh of PAOLiao Chen125222009/12/01 13:19
by Masayuki Toyoda
DrR K Pandey221842009/11/07 04:13
by shahryar
Isotope effect Dinh Loc Duong219602009/11/05 17:37
by jafar azamat
Requiredjafar azamat018832009/11/01 20:09
by jafar azamat
The effective potentialYen-Hsun Su120882009/10/29 22:54
by T.Ozaki
A compilation problem of OpenMx 3.4.4 in Centos5.3wangdb877482009/09/01 02:38
by Phil
unit cell optimizationPhilip023012009/07/21 06:20
by Philip
Low memory utility rate kuofeng024472009/06/18 18:43
by kuofeng
Cube file for each time stepSpelnikov Dmitry023912009/06/10 19:43
by Spelnikov Dmitry
Bug in the function "Band_DFT_MO_NonCol" in every versionJeong023062009/06/04 23:01
by Jeong
openmx suspected memory leak?Alin M Elena026982009/05/20 19:00
by Alin M Elena
Parallel runs crash on one cluster but not the other Baruch Feldman127792009/05/08 18:52
by Baruch Feldman
Definition of chemical potential in OPENMXLoc Duong Dinh125382009/04/10 23:29
by Loc Duong Dinh
Generation of a Pseudopotential for goldGiovani Faccin031122009/03/21 03:11
by Giovani Faccin
question about installation----CC&LIBrocdawn218952009/03/19 14:31
by rocdawn
kutuXiang He015542009/03/16 16:37
by Xiang He
openmx(242) malloc: ***vm_allocate(size=8421376) failed (error code=3)YuYe Tong132472009/03/04 14:35
by H Jeong

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