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Topics Author Replies Views Last Modified
SCF problem with the same periodic structureDinh Loc Duong042062010/07/21 10:44
by Dinh Loc Duong
Transport with non collinear calculationJ. Chang026442010/06/28 04:14
by J. Chang
Negative transmission coefficient valuesPriyamvada Jadaun031022010/06/19 06:05
by Priyamvada Jadaun
Is the Orbital Optimization variational with rispect to the Total Energy?Mauro026872010/06/02 00:46
by Mauro
Band gap of carbon nanotube is dependent of cell size Dinh Loc Duong033482010/05/26 10:15
by Dinh Loc Duong
How to properly calculate atoms?jlrch025642010/05/20 04:21
by jlrch
61 atom Fe wire lead, achieving converganceGabriel Greene130442010/05/13 17:46
by JH Parq
Can not get the output file,ie *.out but can get other output files like *.std,*.cifDimpy 027752010/05/02 23:42
by Dimpy
Interatomic forces at close distancesDaniel128652010/04/22 05:29
by Daniel
A question about nanotube applicationsHonggyu Kim048242010/04/08 20:12
by Honggyu Kim
execution of oenmx in parallel environment (using mpirun) result in error failed to save rst fileharish029432010/04/08 09:39
by harish
one problem when running the calculationyang360122010/04/07 09:22
by yang
TranMain not compilingGabriel Greene120272010/04/04 19:43
by azamat
Can anyone tell me how to set the "Atoms.UnitVectors “?yang031812010/03/31 17:53
by yang
Density of states for a large semiconductor systemmiher028552010/03/30 23:03
by miher
Silver bulk modulusB.Martins035582010/03/15 03:43
by B.Martins
Vibration and PhononsMauro Sgroi033542010/02/24 22:45
by Mauro Sgroi
On the calculation of the band offset in OpenMXOkuno033182010/02/19 01:12
by Okuno
Optimizeshahryar zeynali026772010/02/05 03:09
by shahryar zeynali
Differing results from openmx -runtest for gcc and ifortJ. J. Ramsey479282010/02/03 15:52
by Kim, Minsung
heat conductivity within NEGF?Denis129992010/01/29 13:21
by T.Ozaki
Compare the chemical potential of two systemDinh Loc Duong153912010/01/29 13:18
by T.Ozaki
kGridshahryar zeynali026022010/01/17 03:29
by shahryar zeynali
input fileshahryar zeynali128672010/01/11 05:01
by shahryar zeynali
Required jafar azamat229652010/01/09 03:29
by shahryar zeynali
Workstation is hung-upT.Igarashi132542009/12/16 20:03
by mabeja
Problem compile OPENMX3.5Dinh Loc Duong231382009/12/01 19:10
by Rainer Heintzmann
Log Mesh of PAOLiao Chen132022009/12/01 13:19
by Masayuki Toyoda
DrR K Pandey228372009/11/07 04:13
by shahryar
Isotope effect Dinh Loc Duong226712009/11/05 17:37
by jafar azamat
Requiredjafar azamat025782009/11/01 20:09
by jafar azamat
The effective potentialYen-Hsun Su128942009/10/29 22:54
by T.Ozaki
A compilation problem of OpenMx 3.4.4 in Centos5.3wangdb885232009/09/01 02:38
by Phil
unit cell optimizationPhilip029642009/07/21 06:20
by Philip
Low memory utility rate kuofeng031632009/06/18 18:43
by kuofeng
Cube file for each time stepSpelnikov Dmitry030792009/06/10 19:43
by Spelnikov Dmitry
Bug in the function "Band_DFT_MO_NonCol" in every versionJeong029562009/06/04 23:01
by Jeong
openmx suspected memory leak?Alin M Elena033642009/05/20 19:00
by Alin M Elena
Parallel runs crash on one cluster but not the other Baruch Feldman134652009/05/08 18:52
by Baruch Feldman
Definition of chemical potential in OPENMXLoc Duong Dinh133092009/04/10 23:29
by Loc Duong Dinh
Generation of a Pseudopotential for goldGiovani Faccin038642009/03/21 03:11
by Giovani Faccin
question about installation----CC&LIBrocdawn225552009/03/19 14:31
by rocdawn
kutuXiang He021892009/03/16 16:37
by Xiang He
openmx(242) malloc: ***vm_allocate(size=8421376) failed (error code=3)YuYe Tong139412009/03/04 14:35
by H Jeong
nan MulP in Cluster solverJian Zhou545042009/03/03 16:37
by Jian Zhou
Bond Order PotentialIgarashi031982009/02/06 13:58
by Igarashi
Segmentation fault with example input file CG15c-Kry.datJoseph Driscoll031962009/01/15 03:33
by Joseph Driscoll
A bug with tabulator in the input filePavel Sorokin030392009/01/12 15:30
by Pavel Sorokin
Problem in geometry optimization of C nanotubePrachi137202009/01/06 11:47
by JH Parq
Problems for Optical Conductivity!!!Yen-Hsun Su033782008/12/20 16:42
by Yen-Hsun Su

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