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Topics Author Replies Views Last Modified
MPSH enabled OPENMX Jaber Jahanbin017552014/06/22 22:48
by Jaber Jahanbin
Bi2Te3 topological insulatorArtem359322014/06/21 10:11
by T. Ozaki
small residule charges after SCF is completedChen616932014/06/16 15:24
by T. Ozaki
NEGF Convergence problem in Magnetic junction Umar 328412014/06/10 18:36
by Artem
NEGF Convergence problem Umar 034142014/06/05 17:59
by Umar
molecular-projected self-consistent Hamiltonian (MPSH)David Sharpe242512014/06/02 17:47
by Sharpe & Afshari
Spin Polarization NEGF Calculation Umar 1250212014/05/30 23:48
by Umar
Present wf in real spaceArtem Pulkin634122014/05/29 21:31
by T. Ozaki
MPI error in cluster SCF eigenvaluesolver (OpenMX3.7)Jae Nyeong Kim118512014/05/27 23:50
by Artem
Bug in MIN/MAX macros causing incorrect resultsÅke Sandgren114532014/05/23 22:28
by T. Ozaki
Piloting over-all transmission of the system Umar 129172014/05/23 21:17
by Artem
EvsLCDavid G.113662014/05/20 16:32
by T. Ozaki
stop without scf convergence and ESM problemschi150892014/05/20 16:23
by T. Ozaki
explanation of transmission khan118042014/05/16 18:50
by Artem
Question about vector unity cell in Au(1 1 1) surfaceLeone537292014/05/12 22:17
by Artem
OpenMX program automatically exitchow033362014/05/12 12:01
by chow
Files *.bulk.xyzLeone225232014/05/03 01:33
by Leone
MPSHAfshari0260872014/04/24 05:00
by Afshari
Relaxation of MoS2Artem982592014/04/16 08:52
by T. Ozaki
Vacuum levelAlfonso Sanchez398662014/04/16 06:28
by Alfonso Sanchez
problem with calculation of forcesAndrzej Lusakowski158232014/04/14 15:33
by T. Ozaki
non-collinear DFT: problem in fixing spin orientationTamal Goswami321922014/04/14 15:29
by T. Ozaki
Problem in making DosMain fileDUONG Dinh Hiep121692014/04/14 15:27
by T. Ozaki
Installation problem of openmx3.7 on fedora core 19Md. Mehboob Alam113732014/04/10 02:16
by Masoud
==Artem Pulkin360022014/03/17 17:14
by T. Ozaki
Problem about Graphenewdaobin118202014/03/17 17:06
by T. Ozaki
pseudopotential and atomic basis dai158872014/03/17 16:51
by T. Ozaki
Visualization of OpenMX dataDenis Music118942014/03/17 16:48
by T. Ozaki
Change the number of data point in Density of States calculationDUONG Dinh Hiep116012014/03/17 16:36
by T. Ozaki
Optimised ZnO (1010) nonpolar surfaceMoh. Adhib Ulil Abso327802014/02/20 12:13
by Moh Adhib Ulil Abso
Patch 3.7.8 to OpenMX Ver. 3.7T. Ozaki021462014/02/17 12:16
by T. Ozaki
Current in *.current file from NEGFJ118322014/02/07 15:35
by T. Ozaki
Running openMX on Cray XC30 Yu Xie218212014/02/07 04:43
by Yu Xie
unit of cube fileJ334322014/01/31 23:32
by J
Patch 3.7.7 to OpenMX Ver. 3.7T. Ozaki050422014/01/31 17:40
by T. Ozaki
Kohn Sham energy levels and Hartree potentialLe The Anh945342014/01/29 18:34
by Le The Anh
Exchange coupling of Fe atoms- first nearest neighbor Kamaram Munira157942014/01/28 09:47
by T. Ozaki
pseudopotential for positive charged atomsJT118102014/01/28 09:44
by T. Ozaki
Mr.Yu Xie168492014/01/24 02:25
by Yu Xie
My first postImeldran013272013/12/27 02:21
by Imeldran
charge density in a given energy rangeJ218012013/12/25 12:56
by J
light speed in the codeWenLiang_liu121942013/12/25 04:21
by T. Ozaki
<RF> ERROR, aborting yugd115522013/12/25 04:16
by T. Ozaki
Atom projected band structureEike Schwier117312013/12/25 04:13
by T. Ozaki
Stress calculationSomesh Bhattacharya115652013/12/25 04:11
by T. Ozaki
I(V) for graphene ribbonPeter116002013/12/25 04:09
by T. Ozaki
Energy landscape discontinuitiesJure Varlec117452013/12/25 04:03
by T. Ozaki
Very difficult scf-convergence for NEGF calculationsyugd117512013/12/21 12:06
by yugd
light speed WenLiang_liu013572013/12/13 18:02
by WenLiang_liu
Wrong transmission yugd125882013/11/20 21:40
by yugd

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