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Topics Author Replies Views Last Modified
The imprimation of TRAN_Poisson for the boundary conditionYukihiro Okuno016882010/08/25 17:24
by Yukihiro Okuno
Hellman Feynman Force in NEGF calculationJuilian Josef014762010/08/18 23:04
by Juilian Josef
SCF problem with the same periodic structureDinh Loc Duong026782010/07/21 10:44
by Dinh Loc Duong
Transport with non collinear calculationJ. Chang014292010/06/28 04:14
by J. Chang
Negative transmission coefficient valuesPriyamvada Jadaun017092010/06/19 06:05
by Priyamvada Jadaun
Is the Orbital Optimization variational with rispect to the Total Energy?Mauro014942010/06/02 00:46
by Mauro
Band gap of carbon nanotube is dependent of cell size Dinh Loc Duong020652010/05/26 10:15
by Dinh Loc Duong
How to properly calculate atoms?jlrch014382010/05/20 04:21
by jlrch
61 atom Fe wire lead, achieving converganceGabriel Greene118312010/05/13 17:46
by JH Parq
Can not get the output file,ie *.out but can get other output files like *.std,*.cifDimpy 015372010/05/02 23:42
by Dimpy
Interatomic forces at close distancesDaniel116772010/04/22 05:29
by Daniel
A question about nanotube applicationsHonggyu Kim034592010/04/08 20:12
by Honggyu Kim
execution of oenmx in parallel environment (using mpirun) result in error failed to save rst fileharish016842010/04/08 09:39
by harish
one problem when running the calculationyang337952010/04/07 09:22
by yang
TranMain not compilingGabriel Greene17522010/04/04 19:43
by azamat
Can anyone tell me how to set the "Atoms.UnitVectors “?yang017872010/03/31 17:53
by yang
Density of states for a large semiconductor systemmiher015522010/03/30 23:03
by miher
Silver bulk modulusB.Martins022092010/03/15 03:43
by B.Martins
Vibration and PhononsMauro Sgroi020082010/02/24 22:45
by Mauro Sgroi
On the calculation of the band offset in OpenMXOkuno020572010/02/19 01:12
by Okuno
Optimizeshahryar zeynali015012010/02/05 03:09
by shahryar zeynali
Differing results from openmx -runtest for gcc and ifortJ. J. Ramsey465162010/02/03 15:52
by Kim, Minsung
heat conductivity within NEGF?Denis117662010/01/29 13:21
by T.Ozaki
Compare the chemical potential of two systemDinh Loc Duong137482010/01/29 13:18
by T.Ozaki
kGridshahryar zeynali013382010/01/17 03:29
by shahryar zeynali
input fileshahryar zeynali116652010/01/11 05:01
by shahryar zeynali
Required jafar azamat217652010/01/09 03:29
by shahryar zeynali
Workstation is hung-upT.Igarashi118812009/12/16 20:03
by mabeja
Problem compile OPENMX3.5Dinh Loc Duong218982009/12/01 19:10
by Rainer Heintzmann
Log Mesh of PAOLiao Chen119642009/12/01 13:19
by Masayuki Toyoda
DrR K Pandey217302009/11/07 04:13
by shahryar
Isotope effect Dinh Loc Duong214712009/11/05 17:37
by jafar azamat
Requiredjafar azamat013952009/11/01 20:09
by jafar azamat
The effective potentialYen-Hsun Su115442009/10/29 22:54
by T.Ozaki
A compilation problem of OpenMx 3.4.4 in Centos5.3wangdb869812009/09/01 02:38
by Phil
unit cell optimizationPhilip017642009/07/21 06:20
by Philip
Low memory utility rate kuofeng019292009/06/18 18:43
by kuofeng
Cube file for each time stepSpelnikov Dmitry018522009/06/10 19:43
by Spelnikov Dmitry
Bug in the function "Band_DFT_MO_NonCol" in every versionJeong018072009/06/04 23:01
by Jeong
openmx suspected memory leak?Alin M Elena021252009/05/20 19:00
by Alin M Elena
Parallel runs crash on one cluster but not the other Baruch Feldman122282009/05/08 18:52
by Baruch Feldman
Definition of chemical potential in OPENMXLoc Duong Dinh119942009/04/10 23:29
by Loc Duong Dinh
Generation of a Pseudopotential for goldGiovani Faccin025372009/03/21 03:11
by Giovani Faccin
question about installation----CC&LIBrocdawn213632009/03/19 14:31
by rocdawn
kutuXiang He010922009/03/16 16:37
by Xiang He
openmx(242) malloc: ***vm_allocate(size=8421376) failed (error code=3)YuYe Tong126742009/03/04 14:35
by H Jeong
nan MulP in Cluster solverJian Zhou529982009/03/03 16:37
by Jian Zhou
Bond Order PotentialIgarashi020362009/02/06 13:58
by Igarashi
Segmentation fault with example input file CG15c-Kry.datJoseph Driscoll019952009/01/15 03:33
by Joseph Driscoll
A bug with tabulator in the input filePavel Sorokin018472009/01/12 15:30
by Pavel Sorokin

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