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Topics Author Replies Views Last Modified
Question about non-collinear MLWF calculationLimillas19072014/11/23 08:26
by T. Ozaki
VPS and PAO for TerbiumM. M. Anas27332014/11/21 19:05
by M. M. Anas
NEGF and insulatorsArtem Pulkin17692014/11/21 00:09
by T. Ozaki
Fe spin numbersSepideh27262014/11/15 02:12
by sepideh
discrepancies results between openmx-siesta-vasp on slab calculation without vdwDuverger Eric211152014/11/14 06:30
by Duverger
I had some error when I tried to install openMXWang Yuanqing29162014/11/12 15:01
by Yuanqing Wang
Transmission Through SiliceneVahid19322014/11/03 19:12
by Artem Pulkin
Installing Openmx with Ifort and IccVahid215172014/10/31 22:23
by Vahid
including hybrid functionalMosahhar07892014/10/28 16:17
by Mosahhar
DFT-D2 Julieth211332014/10/28 04:59
by Julieth
problem with band interpolation using HS.outM. Chen120642014/10/27 22:48
by T. Ozaki
O(N) method in OpenmxChen112312014/10/27 22:41
by T. Ozaki
patches for gcc-4.8.3/4.9.1marcindulak18282014/10/27 22:30
by T. Ozaki
Optimized norm-conserving Vanderbilt pseudopotentialschrinide114862014/10/27 22:26
by T. Ozaki
localised and itinerant electron specificationTamal Goswami118912014/10/27 22:18
by T. Ozaki
Compile ErrorHossein129452014/09/25 18:43
by Artem Pulkin
Transport Properties in Charged CompoundsLeone211112014/09/16 01:21
by Leone
problem with grapheneNehmat114722014/09/15 22:33
by Artem Pulkin
Segmentation fault : NEGF step.1 The calculations for leads Lee118362014/09/15 22:01
by Artem Pulkin
installation problem Khalid8189632014/09/10 11:14
by T.V.T. Duy
lapack subroutines for diagonizationJohn Chan17882014/08/29 18:36
by Artem
One more NEGF issueArtem1333192014/08/25 21:03
by Artem
Dipole correction for slab calculationSung Beom Cho537402014/08/21 16:51
by T. Ozaki
FFT of atomic orbitalsM. Chen18992014/08/20 09:25
by T. Ozaki
One more question about NEGF performanceArtem116422014/08/18 18:17
by Artem
bandstructure of GaAsZahra131572014/08/11 17:13
by T. Ozaki
ADPACK calculations for ions etc.M. O.111022014/08/11 17:09
by T. Ozaki
Gold nanowire NEGF simulation no convergenceHassan339372014/08/09 05:43
by Hassan Farooq
MPSH enabled OPENMX Jaber Jahanbin015352014/06/22 22:48
by Jaber Jahanbin
Bi2Te3 topological insulatorArtem344562014/06/21 10:11
by T. Ozaki
small residule charges after SCF is completedChen613702014/06/16 15:24
by T. Ozaki
NEGF Convergence problem in Magnetic junction Umar 324882014/06/10 18:36
by Artem
NEGF Convergence problem Umar 030612014/06/05 17:59
by Umar
molecular-projected self-consistent Hamiltonian (MPSH)David Sharpe238252014/06/02 17:47
by Sharpe & Afshari
Spin Polarization NEGF Calculation Umar 1245622014/05/30 23:48
by Umar
Present wf in real spaceArtem Pulkin630102014/05/29 21:31
by T. Ozaki
MPI error in cluster SCF eigenvaluesolver (OpenMX3.7)Jae Nyeong Kim115312014/05/27 23:50
by Artem
Bug in MIN/MAX macros causing incorrect resultsÅke Sandgren112392014/05/23 22:28
by T. Ozaki
Piloting over-all transmission of the system Umar 126812014/05/23 21:17
by Artem
EvsLCDavid G.111712014/05/20 16:32
by T. Ozaki
stop without scf convergence and ESM problemschi147782014/05/20 16:23
by T. Ozaki
explanation of transmission khan115882014/05/16 18:50
by Artem
Question about vector unity cell in Au(1 1 1) surfaceLeone534912014/05/12 22:17
by Artem
OpenMX program automatically exitchow030072014/05/12 12:01
by chow
Files *.bulk.xyzLeone222092014/05/03 01:33
by Leone
MPSHAfshari0258942014/04/24 05:00
by Afshari
Relaxation of MoS2Artem970172014/04/16 08:52
by T. Ozaki
Vacuum levelAlfonso Sanchez393172014/04/16 06:28
by Alfonso Sanchez
problem with calculation of forcesAndrzej Lusakowski155632014/04/14 15:33
by T. Ozaki
non-collinear DFT: problem in fixing spin orientationTamal Goswami318602014/04/14 15:29
by T. Ozaki

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