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Topics Author Replies Views Last Modified
Gold nanowire NEGF simulation no convergenceHassan347312014/08/09 05:43
by Hassan Farooq
MPSH enabled OPENMX Jaber Jahanbin021862014/06/22 22:48
by Jaber Jahanbin
Bi2Te3 topological insulatorArtem368942014/06/21 10:11
by T. Ozaki
small residule charges after SCF is completedChen622112014/06/16 15:24
by T. Ozaki
NEGF Convergence problem in Magnetic junction Umar 334152014/06/10 18:36
by Artem
NEGF Convergence problem Umar 038852014/06/05 17:59
by Umar
molecular-projected self-consistent Hamiltonian (MPSH)David Sharpe247752014/06/02 17:47
by Sharpe & Afshari
Spin Polarization NEGF Calculation Umar 1257822014/05/30 23:48
by Umar
Present wf in real spaceArtem Pulkin639482014/05/29 21:31
by T. Ozaki
MPI error in cluster SCF eigenvaluesolver (OpenMX3.7)Jae Nyeong Kim123332014/05/27 23:50
by Artem
Bug in MIN/MAX macros causing incorrect resultsÅke Sandgren118862014/05/23 22:28
by T. Ozaki
Piloting over-all transmission of the system Umar 133302014/05/23 21:17
by Artem
EvsLCDavid G.118022014/05/20 16:32
by T. Ozaki
stop without scf convergence and ESM problemschi156302014/05/20 16:23
by T. Ozaki
explanation of transmission khan122562014/05/16 18:50
by Artem
Question about vector unity cell in Au(1 1 1) surfaceLeone541832014/05/12 22:17
by Artem
OpenMX program automatically exitchow038522014/05/12 12:01
by chow
Files *.bulk.xyzLeone229972014/05/03 01:33
by Leone
MPSHAfshari0265382014/04/24 05:00
by Afshari
Relaxation of MoS2Artem997782014/04/16 08:52
by T. Ozaki
Vacuum levelAlfonso Sanchez3105042014/04/16 06:28
by Alfonso Sanchez
problem with calculation of forcesAndrzej Lusakowski163272014/04/14 15:33
by T. Ozaki
non-collinear DFT: problem in fixing spin orientationTamal Goswami327682014/04/14 15:29
by T. Ozaki
Problem in making DosMain fileDUONG Dinh Hiep127762014/04/14 15:27
by T. Ozaki
Installation problem of openmx3.7 on fedora core 19Md. Mehboob Alam118762014/04/10 02:16
by Masoud
==Artem Pulkin364022014/03/17 17:14
by T. Ozaki
Problem about Graphenewdaobin122842014/03/17 17:06
by T. Ozaki
pseudopotential and atomic basis dai163502014/03/17 16:51
by T. Ozaki
Visualization of OpenMX dataDenis Music124892014/03/17 16:48
by T. Ozaki
Change the number of data point in Density of States calculationDUONG Dinh Hiep120402014/03/17 16:36
by T. Ozaki
Optimised ZnO (1010) nonpolar surfaceMoh. Adhib Ulil Abso332842014/02/20 12:13
by Moh Adhib Ulil Abso
Patch 3.7.8 to OpenMX Ver. 3.7T. Ozaki025732014/02/17 12:16
by T. Ozaki
Current in *.current file from NEGFJ122872014/02/07 15:35
by T. Ozaki
Running openMX on Cray XC30 Yu Xie222812014/02/07 04:43
by Yu Xie
unit of cube fileJ343402014/01/31 23:32
by J
Patch 3.7.7 to OpenMX Ver. 3.7T. Ozaki054602014/01/31 17:40
by T. Ozaki
Kohn Sham energy levels and Hartree potentialLe The Anh957172014/01/29 18:34
by Le The Anh
Exchange coupling of Fe atoms- first nearest neighbor Kamaram Munira164482014/01/28 09:47
by T. Ozaki
pseudopotential for positive charged atomsJT122832014/01/28 09:44
by T. Ozaki
Mr.Yu Xie172972014/01/24 02:25
by Yu Xie
My first postImeldran017612013/12/27 02:21
by Imeldran
charge density in a given energy rangeJ222732013/12/25 12:56
by J
light speed in the codeWenLiang_liu126362013/12/25 04:21
by T. Ozaki
<RF> ERROR, aborting yugd119982013/12/25 04:16
by T. Ozaki
Atom projected band structureEike Schwier121972013/12/25 04:13
by T. Ozaki
Stress calculationSomesh Bhattacharya120102013/12/25 04:11
by T. Ozaki
I(V) for graphene ribbonPeter120452013/12/25 04:09
by T. Ozaki
Energy landscape discontinuitiesJure Varlec122192013/12/25 04:03
by T. Ozaki
Very difficult scf-convergence for NEGF calculationsyugd122242013/12/21 12:06
by yugd
light speed WenLiang_liu017882013/12/13 18:02
by WenLiang_liu

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