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Topics Author Replies Views Last Modified
problem about example Gly_NH.datWang Yuanqing29762014/12/12 10:46
by Yuanqing Wang
The 3rd OpenMX/QMAS workshopT. Ozaki010622014/12/11 23:56
by T. Ozaki
mismatched energy values on same symmetry pointsKuraya39142014/12/11 22:12
by T. Ozaki
no error no run!masoud18022014/12/11 01:24
by Artem Pulkin
md calculation errorWang Yuanqing110002014/12/10 19:09
by Artem Pulkin
PAO and VPS for CarbonKonstantin Khromov211212014/11/27 06:26
by T. Ozaki
DoctorKonstantin Khromov18862014/11/26 20:29
by Konstantin Khromov
INput file for Bi2Se3ANANT111292014/11/24 20:12
by Artem Pulkin
Writing the code for (1,1,1) surface for any crystal ANANT18402014/11/23 08:29
by T. Ozaki
Question about non-collinear MLWF calculationLimillas113602014/11/23 08:26
by T. Ozaki
VPS and PAO for TerbiumM. M. Anas29682014/11/21 19:05
by M. M. Anas
NEGF and insulatorsArtem Pulkin110102014/11/21 00:09
by T. Ozaki
Fe spin numbersSepideh29662014/11/15 02:12
by sepideh
discrepancies results between openmx-siesta-vasp on slab calculation without vdwDuverger Eric215962014/11/14 06:30
by Duverger
I had some error when I tried to install openMXWang Yuanqing212382014/11/12 15:01
by Yuanqing Wang
Transmission Through SiliceneVahid112252014/11/03 19:12
by Artem Pulkin
Installing Openmx with Ifort and IccVahid218342014/10/31 22:23
by Vahid
including hybrid functionalMosahhar011842014/10/28 16:17
by Mosahhar
DFT-D2 Julieth213832014/10/28 04:59
by Julieth
problem with band interpolation using HS.outM. Chen123642014/10/27 22:48
by T. Ozaki
O(N) method in OpenmxChen114632014/10/27 22:41
by T. Ozaki
patches for gcc-4.8.3/4.9.1marcindulak111842014/10/27 22:30
by T. Ozaki
Optimized norm-conserving Vanderbilt pseudopotentialschrinide118132014/10/27 22:26
by T. Ozaki
localised and itinerant electron specificationTamal Goswami121462014/10/27 22:18
by T. Ozaki
Compile ErrorHossein140772014/09/25 18:43
by Artem Pulkin
Transport Properties in Charged CompoundsLeone213462014/09/16 01:21
by Leone
problem with grapheneNehmat119062014/09/15 22:33
by Artem Pulkin
Segmentation fault : NEGF step.1 The calculations for leads Lee120872014/09/15 22:01
by Artem Pulkin
installation problem Khalid8198882014/09/10 11:14
by T.V.T. Duy
lapack subroutines for diagonizationJohn Chan110392014/08/29 18:36
by Artem
One more NEGF issueArtem1337342014/08/25 21:03
by Artem
Dipole correction for slab calculationSung Beom Cho549532014/08/21 16:51
by T. Ozaki
FFT of atomic orbitalsM. Chen111642014/08/20 09:25
by T. Ozaki
One more question about NEGF performanceArtem119222014/08/18 18:17
by Artem
bandstructure of GaAsZahra134472014/08/11 17:13
by T. Ozaki
ADPACK calculations for ions etc.M. O.113642014/08/11 17:09
by T. Ozaki
Gold nanowire NEGF simulation no convergenceHassan343032014/08/09 05:43
by Hassan Farooq
MPSH enabled OPENMX Jaber Jahanbin018032014/06/22 22:48
by Jaber Jahanbin
Bi2Te3 topological insulatorArtem360752014/06/21 10:11
by T. Ozaki
small residule charges after SCF is completedChen617452014/06/16 15:24
by T. Ozaki
NEGF Convergence problem in Magnetic junction Umar 328972014/06/10 18:36
by Artem
NEGF Convergence problem Umar 034742014/06/05 17:59
by Umar
molecular-projected self-consistent Hamiltonian (MPSH)David Sharpe243152014/06/02 17:47
by Sharpe & Afshari
Spin Polarization NEGF Calculation Umar 1251152014/05/30 23:48
by Umar
Present wf in real spaceArtem Pulkin634742014/05/29 21:31
by T. Ozaki
MPI error in cluster SCF eigenvaluesolver (OpenMX3.7)Jae Nyeong Kim118982014/05/27 23:50
by Artem
Bug in MIN/MAX macros causing incorrect resultsÅke Sandgren114952014/05/23 22:28
by T. Ozaki
Piloting over-all transmission of the system Umar 129602014/05/23 21:17
by Artem
EvsLCDavid G.114112014/05/20 16:32
by T. Ozaki
stop without scf convergence and ESM problemschi151572014/05/20 16:23
by T. Ozaki

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