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Topics Author Replies Views Last Modified
Is the Orbital Optimization variational with rispect to the Total Energy?Mauro018342010/06/02 00:46
by Mauro
Band gap of carbon nanotube is dependent of cell size Dinh Loc Duong024102010/05/26 10:15
by Dinh Loc Duong
How to properly calculate atoms?jlrch017552010/05/20 04:21
by jlrch
61 atom Fe wire lead, achieving converganceGabriel Greene121582010/05/13 17:46
by JH Parq
Can not get the output file,ie *.out but can get other output files like *.std,*.cifDimpy 019302010/05/02 23:42
by Dimpy
Interatomic forces at close distancesDaniel120432010/04/22 05:29
by Daniel
A question about nanotube applicationsHonggyu Kim038282010/04/08 20:12
by Honggyu Kim
execution of oenmx in parallel environment (using mpirun) result in error failed to save rst fileharish020462010/04/08 09:39
by harish
one problem when running the calculationyang345662010/04/07 09:22
by yang
TranMain not compilingGabriel Greene111042010/04/04 19:43
by azamat
Can anyone tell me how to set the "Atoms.UnitVectors “?yang021292010/03/31 17:53
by yang
Density of states for a large semiconductor systemmiher018872010/03/30 23:03
by miher
Silver bulk modulusB.Martins026082010/03/15 03:43
by B.Martins
Vibration and PhononsMauro Sgroi024012010/02/24 22:45
by Mauro Sgroi
On the calculation of the band offset in OpenMXOkuno023812010/02/19 01:12
by Okuno
Optimizeshahryar zeynali018042010/02/05 03:09
by shahryar zeynali
Differing results from openmx -runtest for gcc and ifortJ. J. Ramsey468942010/02/03 15:52
by Kim, Minsung
heat conductivity within NEGF?Denis120742010/01/29 13:21
by T.Ozaki
Compare the chemical potential of two systemDinh Loc Duong141632010/01/29 13:18
by T.Ozaki
kGridshahryar zeynali016842010/01/17 03:29
by shahryar zeynali
input fileshahryar zeynali119602010/01/11 05:01
by shahryar zeynali
Required jafar azamat221132010/01/09 03:29
by shahryar zeynali
Workstation is hung-upT.Igarashi123172009/12/16 20:03
by mabeja
Problem compile OPENMX3.5Dinh Loc Duong222682009/12/01 19:10
by Rainer Heintzmann
Log Mesh of PAOLiao Chen123292009/12/01 13:19
by Masayuki Toyoda
DrR K Pandey220322009/11/07 04:13
by shahryar
Isotope effect Dinh Loc Duong217892009/11/05 17:37
by jafar azamat
Requiredjafar azamat017182009/11/01 20:09
by jafar azamat
The effective potentialYen-Hsun Su119172009/10/29 22:54
by T.Ozaki
A compilation problem of OpenMx 3.4.4 in Centos5.3wangdb875082009/09/01 02:38
by Phil
unit cell optimizationPhilip021222009/07/21 06:20
by Philip
Low memory utility rate kuofeng022572009/06/18 18:43
by kuofeng
Cube file for each time stepSpelnikov Dmitry021792009/06/10 19:43
by Spelnikov Dmitry
Bug in the function "Band_DFT_MO_NonCol" in every versionJeong021342009/06/04 23:01
by Jeong
openmx suspected memory leak?Alin M Elena025162009/05/20 19:00
by Alin M Elena
Parallel runs crash on one cluster but not the other Baruch Feldman125962009/05/08 18:52
by Baruch Feldman
Definition of chemical potential in OPENMXLoc Duong Dinh123542009/04/10 23:29
by Loc Duong Dinh
Generation of a Pseudopotential for goldGiovani Faccin029322009/03/21 03:11
by Giovani Faccin
question about installation----CC&LIBrocdawn217412009/03/19 14:31
by rocdawn
kutuXiang He014052009/03/16 16:37
by Xiang He
openmx(242) malloc: ***vm_allocate(size=8421376) failed (error code=3)YuYe Tong130482009/03/04 14:35
by H Jeong
nan MulP in Cluster solverJian Zhou534262009/03/03 16:37
by Jian Zhou
Bond Order PotentialIgarashi023492009/02/06 13:58
by Igarashi
Segmentation fault with example input file CG15c-Kry.datJoseph Driscoll023622009/01/15 03:33
by Joseph Driscoll
A bug with tabulator in the input filePavel Sorokin022042009/01/12 15:30
by Pavel Sorokin
Problem in geometry optimization of C nanotubePrachi127882009/01/06 11:47
by JH Parq
Problems for Optical Conductivity!!!Yen-Hsun Su024452008/12/20 16:42
by Yen-Hsun Su
problem with cohesive energiesVlad335012008/12/11 21:58
by Vasilii Artyukhov
identifier "Rcv_FNAN2_GRc" is undefinedDaniel Schwen123172008/12/03 16:43
by T.Ozaki
error in installation openmx3.4Esthela Contreras016372008/12/03 08:47
by Esthela Contreras

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