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Topics Author Replies Views Last Modified
mismatched energy values on same symmetry pointsKuraya38632014/12/11 22:12
by T. Ozaki
no error no run!masoud17532014/12/11 01:24
by Artem Pulkin
md calculation errorWang Yuanqing19342014/12/10 19:09
by Artem Pulkin
PAO and VPS for CarbonKonstantin Khromov210262014/11/27 06:26
by T. Ozaki
DoctorKonstantin Khromov18282014/11/26 20:29
by Konstantin Khromov
INput file for Bi2Se3ANANT110462014/11/24 20:12
by Artem Pulkin
Writing the code for (1,1,1) surface for any crystal ANANT17772014/11/23 08:29
by T. Ozaki
Question about non-collinear MLWF calculationLimillas112402014/11/23 08:26
by T. Ozaki
VPS and PAO for TerbiumM. M. Anas29122014/11/21 19:05
by M. M. Anas
NEGF and insulatorsArtem Pulkin19442014/11/21 00:09
by T. Ozaki
Fe spin numbersSepideh29122014/11/15 02:12
by sepideh
discrepancies results between openmx-siesta-vasp on slab calculation without vdwDuverger Eric214972014/11/14 06:30
by Duverger
I had some error when I tried to install openMXWang Yuanqing211642014/11/12 15:01
by Yuanqing Wang
Transmission Through SiliceneVahid111562014/11/03 19:12
by Artem Pulkin
Installing Openmx with Ifort and IccVahid217672014/10/31 22:23
by Vahid
including hybrid functionalMosahhar010542014/10/28 16:17
by Mosahhar
DFT-D2 Julieth213302014/10/28 04:59
by Julieth
problem with band interpolation using HS.outM. Chen122972014/10/27 22:48
by T. Ozaki
O(N) method in OpenmxChen114102014/10/27 22:41
by T. Ozaki
patches for gcc-4.8.3/4.9.1marcindulak110962014/10/27 22:30
by T. Ozaki
Optimized norm-conserving Vanderbilt pseudopotentialschrinide117292014/10/27 22:26
by T. Ozaki
localised and itinerant electron specificationTamal Goswami120812014/10/27 22:18
by T. Ozaki
Compile ErrorHossein137362014/09/25 18:43
by Artem Pulkin
Transport Properties in Charged CompoundsLeone212972014/09/16 01:21
by Leone
problem with grapheneNehmat117992014/09/15 22:33
by Artem Pulkin
Segmentation fault : NEGF step.1 The calculations for leads Lee120192014/09/15 22:01
by Artem Pulkin
installation problem Khalid8195942014/09/10 11:14
by T.V.T. Duy
lapack subroutines for diagonizationJohn Chan19752014/08/29 18:36
by Artem
One more NEGF issueArtem1336232014/08/25 21:03
by Artem
Dipole correction for slab calculationSung Beom Cho546902014/08/21 16:51
by T. Ozaki
FFT of atomic orbitalsM. Chen111012014/08/20 09:25
by T. Ozaki
One more question about NEGF performanceArtem118562014/08/18 18:17
by Artem
bandstructure of GaAsZahra133752014/08/11 17:13
by T. Ozaki
ADPACK calculations for ions etc.M. O.112982014/08/11 17:09
by T. Ozaki
Gold nanowire NEGF simulation no convergenceHassan342362014/08/09 05:43
by Hassan Farooq
MPSH enabled OPENMX Jaber Jahanbin017432014/06/22 22:48
by Jaber Jahanbin
Bi2Te3 topological insulatorArtem358312014/06/21 10:11
by T. Ozaki
small residule charges after SCF is completedChen616752014/06/16 15:24
by T. Ozaki
NEGF Convergence problem in Magnetic junction Umar 328212014/06/10 18:36
by Artem
NEGF Convergence problem Umar 034002014/06/05 17:59
by Umar
molecular-projected self-consistent Hamiltonian (MPSH)David Sharpe242192014/06/02 17:47
by Sharpe & Afshari
Spin Polarization NEGF Calculation Umar 1249802014/05/30 23:48
by Umar
Present wf in real spaceArtem Pulkin633902014/05/29 21:31
by T. Ozaki
MPI error in cluster SCF eigenvaluesolver (OpenMX3.7)Jae Nyeong Kim118332014/05/27 23:50
by Artem
Bug in MIN/MAX macros causing incorrect resultsÅke Sandgren114382014/05/23 22:28
by T. Ozaki
Piloting over-all transmission of the system Umar 129052014/05/23 21:17
by Artem
EvsLCDavid G.113532014/05/20 16:32
by T. Ozaki
stop without scf convergence and ESM problemschi150702014/05/20 16:23
by T. Ozaki
explanation of transmission khan117892014/05/16 18:50
by Artem
Question about vector unity cell in Au(1 1 1) surfaceLeone537142014/05/12 22:17
by Artem

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