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Topics Author Replies Views Last Modified
no error no run!masoud14982014/12/11 01:24
by Artem Pulkin
md calculation errorWang Yuanqing15982014/12/10 19:09
by Artem Pulkin
PAO and VPS for CarbonKonstantin Khromov26692014/11/27 06:26
by T. Ozaki
DoctorKonstantin Khromov15702014/11/26 20:29
by Konstantin Khromov
INput file for Bi2Se3ANANT16382014/11/24 20:12
by Artem Pulkin
Writing the code for (1,1,1) surface for any crystal ANANT15362014/11/23 08:29
by T. Ozaki
Question about non-collinear MLWF calculationLimillas17852014/11/23 08:26
by T. Ozaki
VPS and PAO for TerbiumM. M. Anas26522014/11/21 19:05
by M. M. Anas
NEGF and insulatorsArtem Pulkin16972014/11/21 00:09
by T. Ozaki
Fe spin numbersSepideh26582014/11/15 02:12
by sepideh
discrepancies results between openmx-siesta-vasp on slab calculation without vdwDuverger Eric29502014/11/14 06:30
by Duverger
I had some error when I tried to install openMXWang Yuanqing28112014/11/12 15:01
by Yuanqing Wang
Transmission Through SiliceneVahid18282014/11/03 19:12
by Artem Pulkin
Installing Openmx with Ifort and IccVahid214482014/10/31 22:23
by Vahid
including hybrid functionalMosahhar06722014/10/28 16:17
by Mosahhar
DFT-D2 Julieth210542014/10/28 04:59
by Julieth
problem with band interpolation using HS.outM. Chen119402014/10/27 22:48
by T. Ozaki
O(N) method in OpenmxChen111532014/10/27 22:41
by T. Ozaki
patches for gcc-4.8.3/4.9.1marcindulak17432014/10/27 22:30
by T. Ozaki
Optimized norm-conserving Vanderbilt pseudopotentialschrinide113432014/10/27 22:26
by T. Ozaki
localised and itinerant electron specificationTamal Goswami118212014/10/27 22:18
by T. Ozaki
Compile ErrorHossein126042014/09/25 18:43
by Artem Pulkin
Transport Properties in Charged CompoundsLeone210382014/09/16 01:21
by Leone
problem with grapheneNehmat113652014/09/15 22:33
by Artem Pulkin
Segmentation fault : NEGF step.1 The calculations for leads Lee117632014/09/15 22:01
by Artem Pulkin
installation problem Khalid8187342014/09/10 11:14
by T.V.T. Duy
lapack subroutines for diagonizationJohn Chan17132014/08/29 18:36
by Artem
One more NEGF issueArtem1331432014/08/25 21:03
by Artem
Dipole correction for slab calculationSung Beom Cho533812014/08/21 16:51
by T. Ozaki
FFT of atomic orbitalsM. Chen18262014/08/20 09:25
by T. Ozaki
One more question about NEGF performanceArtem115622014/08/18 18:17
by Artem
bandstructure of GaAsZahra130662014/08/11 17:13
by T. Ozaki
ADPACK calculations for ions etc.M. O.110332014/08/11 17:09
by T. Ozaki
Gold nanowire NEGF simulation no convergenceHassan338282014/08/09 05:43
by Hassan Farooq
MPSH enabled OPENMX Jaber Jahanbin014592014/06/22 22:48
by Jaber Jahanbin
Bi2Te3 topological insulatorArtem341872014/06/21 10:11
by T. Ozaki
small residule charges after SCF is completedChen612622014/06/16 15:24
by T. Ozaki
NEGF Convergence problem in Magnetic junction Umar 323412014/06/10 18:36
by Artem
NEGF Convergence problem Umar 029462014/06/05 17:59
by Umar
molecular-projected self-consistent Hamiltonian (MPSH)David Sharpe236602014/06/02 17:47
by Sharpe & Afshari
Spin Polarization NEGF Calculation Umar 1243842014/05/30 23:48
by Umar
Present wf in real spaceArtem Pulkin628772014/05/29 21:31
by T. Ozaki
MPI error in cluster SCF eigenvaluesolver (OpenMX3.7)Jae Nyeong Kim114092014/05/27 23:50
by Artem
Bug in MIN/MAX macros causing incorrect resultsÅke Sandgren111692014/05/23 22:28
by T. Ozaki
Piloting over-all transmission of the system Umar 125762014/05/23 21:17
by Artem
EvsLCDavid G.111062014/05/20 16:32
by T. Ozaki
stop without scf convergence and ESM problemschi146392014/05/20 16:23
by T. Ozaki
explanation of transmission khan114972014/05/16 18:50
by Artem
Question about vector unity cell in Au(1 1 1) surfaceLeone533722014/05/12 22:17
by Artem
OpenMX program automatically exitchow028732014/05/12 12:01
by chow

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