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Topics Author Replies Views Last Modified
INput file for Bi2Se3ANANT18582014/11/24 20:12
by Artem Pulkin
Writing the code for (1,1,1) surface for any crystal ANANT16692014/11/23 08:29
by T. Ozaki
Question about non-collinear MLWF calculationLimillas110312014/11/23 08:26
by T. Ozaki
VPS and PAO for TerbiumM. M. Anas28022014/11/21 19:05
by M. M. Anas
NEGF and insulatorsArtem Pulkin18282014/11/21 00:09
by T. Ozaki
Fe spin numbersSepideh27992014/11/15 02:12
by sepideh
discrepancies results between openmx-siesta-vasp on slab calculation without vdwDuverger Eric212652014/11/14 06:30
by Duverger
I had some error when I tried to install openMXWang Yuanqing210132014/11/12 15:01
by Yuanqing Wang
Transmission Through SiliceneVahid110292014/11/03 19:12
by Artem Pulkin
Installing Openmx with Ifort and IccVahid216122014/10/31 22:23
by Vahid
including hybrid functionalMosahhar08822014/10/28 16:17
by Mosahhar
DFT-D2 Julieth212162014/10/28 04:59
by Julieth
problem with band interpolation using HS.outM. Chen121482014/10/27 22:48
by T. Ozaki
O(N) method in OpenmxChen113002014/10/27 22:41
by T. Ozaki
patches for gcc-4.8.3/4.9.1marcindulak19252014/10/27 22:30
by T. Ozaki
Optimized norm-conserving Vanderbilt pseudopotentialschrinide115782014/10/27 22:26
by T. Ozaki
localised and itinerant electron specificationTamal Goswami119602014/10/27 22:18
by T. Ozaki
Compile ErrorHossein132452014/09/25 18:43
by Artem Pulkin
Transport Properties in Charged CompoundsLeone211762014/09/16 01:21
by Leone
problem with grapheneNehmat115672014/09/15 22:33
by Artem Pulkin
Segmentation fault : NEGF step.1 The calculations for leads Lee119042014/09/15 22:01
by Artem Pulkin
installation problem Khalid8192072014/09/10 11:14
by T.V.T. Duy
lapack subroutines for diagonizationJohn Chan18592014/08/29 18:36
by Artem
One more NEGF issueArtem1334232014/08/25 21:03
by Artem
Dipole correction for slab calculationSung Beom Cho540732014/08/21 16:51
by T. Ozaki
FFT of atomic orbitalsM. Chen19592014/08/20 09:25
by T. Ozaki
One more question about NEGF performanceArtem117052014/08/18 18:17
by Artem
bandstructure of GaAsZahra132272014/08/11 17:13
by T. Ozaki
ADPACK calculations for ions etc.M. O.111712014/08/11 17:09
by T. Ozaki
Gold nanowire NEGF simulation no convergenceHassan340492014/08/09 05:43
by Hassan Farooq
MPSH enabled OPENMX Jaber Jahanbin016292014/06/22 22:48
by Jaber Jahanbin
Bi2Te3 topological insulatorArtem349222014/06/21 10:11
by T. Ozaki
small residule charges after SCF is completedChen614982014/06/16 15:24
by T. Ozaki
NEGF Convergence problem in Magnetic junction Umar 326292014/06/10 18:36
by Artem
NEGF Convergence problem Umar 032132014/06/05 17:59
by Umar
molecular-projected self-consistent Hamiltonian (MPSH)David Sharpe239742014/06/02 17:47
by Sharpe & Afshari
Spin Polarization NEGF Calculation Umar 1246992014/05/30 23:48
by Umar
Present wf in real spaceArtem Pulkin631602014/05/29 21:31
by T. Ozaki
MPI error in cluster SCF eigenvaluesolver (OpenMX3.7)Jae Nyeong Kim116712014/05/27 23:50
by Artem
Bug in MIN/MAX macros causing incorrect resultsÅke Sandgren113262014/05/23 22:28
by T. Ozaki
Piloting over-all transmission of the system Umar 127792014/05/23 21:17
by Artem
EvsLCDavid G.112372014/05/20 16:32
by T. Ozaki
stop without scf convergence and ESM problemschi148852014/05/20 16:23
by T. Ozaki
explanation of transmission khan116592014/05/16 18:50
by Artem
Question about vector unity cell in Au(1 1 1) surfaceLeone535692014/05/12 22:17
by Artem
OpenMX program automatically exitchow031112014/05/12 12:01
by chow
Files *.bulk.xyzLeone223132014/05/03 01:33
by Leone
MPSHAfshari0259562014/04/24 05:00
by Afshari
Relaxation of MoS2Artem974742014/04/16 08:52
by T. Ozaki
Vacuum levelAlfonso Sanchez395682014/04/16 06:28
by Alfonso Sanchez

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