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Topics Author Replies Views Last Modified
problem with grapheneNehmat115442014/09/15 22:33
by Artem Pulkin
Segmentation fault : NEGF step.1 The calculations for leads Lee118892014/09/15 22:01
by Artem Pulkin
installation problem Khalid8191502014/09/10 11:14
by T.V.T. Duy
lapack subroutines for diagonizationJohn Chan18462014/08/29 18:36
by Artem
One more NEGF issueArtem1333912014/08/25 21:03
by Artem
Dipole correction for slab calculationSung Beom Cho539762014/08/21 16:51
by T. Ozaki
FFT of atomic orbitalsM. Chen19452014/08/20 09:25
by T. Ozaki
One more question about NEGF performanceArtem116932014/08/18 18:17
by Artem
bandstructure of GaAsZahra132152014/08/11 17:13
by T. Ozaki
ADPACK calculations for ions etc.M. O.111562014/08/11 17:09
by T. Ozaki
Gold nanowire NEGF simulation no convergenceHassan340232014/08/09 05:43
by Hassan Farooq
MPSH enabled OPENMX Jaber Jahanbin016122014/06/22 22:48
by Jaber Jahanbin
Bi2Te3 topological insulatorArtem347962014/06/21 10:11
by T. Ozaki
small residule charges after SCF is completedChen614652014/06/16 15:24
by T. Ozaki
NEGF Convergence problem in Magnetic junction Umar 326052014/06/10 18:36
by Artem
NEGF Convergence problem Umar 031842014/06/05 17:59
by Umar
molecular-projected self-consistent Hamiltonian (MPSH)David Sharpe239372014/06/02 17:47
by Sharpe & Afshari
Spin Polarization NEGF Calculation Umar 1246652014/05/30 23:48
by Umar
Present wf in real spaceArtem Pulkin631322014/05/29 21:31
by T. Ozaki
MPI error in cluster SCF eigenvaluesolver (OpenMX3.7)Jae Nyeong Kim116482014/05/27 23:50
by Artem
Bug in MIN/MAX macros causing incorrect resultsÅke Sandgren113152014/05/23 22:28
by T. Ozaki
Piloting over-all transmission of the system Umar 127652014/05/23 21:17
by Artem
EvsLCDavid G.112262014/05/20 16:32
by T. Ozaki
stop without scf convergence and ESM problemschi148622014/05/20 16:23
by T. Ozaki
explanation of transmission khan116452014/05/16 18:50
by Artem
Question about vector unity cell in Au(1 1 1) surfaceLeone535542014/05/12 22:17
by Artem
OpenMX program automatically exitchow030892014/05/12 12:01
by chow
Files *.bulk.xyzLeone222922014/05/03 01:33
by Leone
MPSHAfshari0259442014/04/24 05:00
by Afshari
Relaxation of MoS2Artem973702014/04/16 08:52
by T. Ozaki
Vacuum levelAlfonso Sanchez395112014/04/16 06:28
by Alfonso Sanchez
problem with calculation of forcesAndrzej Lusakowski156492014/04/14 15:33
by T. Ozaki
non-collinear DFT: problem in fixing spin orientationTamal Goswami319382014/04/14 15:29
by T. Ozaki
Problem in making DosMain fileDUONG Dinh Hiep119482014/04/14 15:27
by T. Ozaki
Installation problem of openmx3.7 on fedora core 19Md. Mehboob Alam111952014/04/10 02:16
by Masoud
==Artem Pulkin358232014/03/17 17:14
by T. Ozaki
Problem about Graphenewdaobin115982014/03/17 17:06
by T. Ozaki
pseudopotential and atomic basis dai157032014/03/17 16:51
by T. Ozaki
Visualization of OpenMX dataDenis Music116952014/03/17 16:48
by T. Ozaki
Change the number of data point in Density of States calculationDUONG Dinh Hiep114442014/03/17 16:36
by T. Ozaki
Optimised ZnO (1010) nonpolar surfaceMoh. Adhib Ulil Abso325362014/02/20 12:13
by Moh Adhib Ulil Abso
Patch 3.7.8 to OpenMX Ver. 3.7T. Ozaki019812014/02/17 12:16
by T. Ozaki
Current in *.current file from NEGFJ116762014/02/07 15:35
by T. Ozaki
Running openMX on Cray XC30 Yu Xie216662014/02/07 04:43
by Yu Xie
unit of cube fileJ331062014/01/31 23:32
by J
Patch 3.7.7 to OpenMX Ver. 3.7T. Ozaki048812014/01/31 17:40
by T. Ozaki
Kohn Sham energy levels and Hartree potentialLe The Anh940342014/01/29 18:34
by Le The Anh
Exchange coupling of Fe atoms- first nearest neighbor Kamaram Munira155132014/01/28 09:47
by T. Ozaki
pseudopotential for positive charged atomsJT116522014/01/28 09:44
by T. Ozaki
Mr.Yu Xie166862014/01/24 02:25
by Yu Xie

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