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Topics Author Replies Views Last Modified
FFT of atomic orbitalsM. Chen110092014/08/20 09:25
by T. Ozaki
One more question about NEGF performanceArtem117612014/08/18 18:17
by Artem
bandstructure of GaAsZahra132782014/08/11 17:13
by T. Ozaki
ADPACK calculations for ions etc.M. O.112072014/08/11 17:09
by T. Ozaki
Gold nanowire NEGF simulation no convergenceHassan341212014/08/09 05:43
by Hassan Farooq
MPSH enabled OPENMX Jaber Jahanbin016642014/06/22 22:48
by Jaber Jahanbin
Bi2Te3 topological insulatorArtem352762014/06/21 10:11
by T. Ozaki
small residule charges after SCF is completedChen615542014/06/16 15:24
by T. Ozaki
NEGF Convergence problem in Magnetic junction Umar 326942014/06/10 18:36
by Artem
NEGF Convergence problem Umar 032772014/06/05 17:59
by Umar
molecular-projected self-consistent Hamiltonian (MPSH)David Sharpe240712014/06/02 17:47
by Sharpe & Afshari
Spin Polarization NEGF Calculation Umar 1247922014/05/30 23:48
by Umar
Present wf in real spaceArtem Pulkin632432014/05/29 21:31
by T. Ozaki
MPI error in cluster SCF eigenvaluesolver (OpenMX3.7)Jae Nyeong Kim117252014/05/27 23:50
by Artem
Bug in MIN/MAX macros causing incorrect resultsÅke Sandgren113652014/05/23 22:28
by T. Ozaki
Piloting over-all transmission of the system Umar 128182014/05/23 21:17
by Artem
EvsLCDavid G.112762014/05/20 16:32
by T. Ozaki
stop without scf convergence and ESM problemschi149472014/05/20 16:23
by T. Ozaki
explanation of transmission khan117022014/05/16 18:50
by Artem
Question about vector unity cell in Au(1 1 1) surfaceLeone536222014/05/12 22:17
by Artem
OpenMX program automatically exitchow032012014/05/12 12:01
by chow
Files *.bulk.xyzLeone223822014/05/03 01:33
by Leone
MPSHAfshari0259972014/04/24 05:00
by Afshari
Relaxation of MoS2Artem977262014/04/16 08:52
by T. Ozaki
Vacuum levelAlfonso Sanchez396642014/04/16 06:28
by Alfonso Sanchez
problem with calculation of forcesAndrzej Lusakowski157072014/04/14 15:33
by T. Ozaki
non-collinear DFT: problem in fixing spin orientationTamal Goswami320212014/04/14 15:29
by T. Ozaki
Problem in making DosMain fileDUONG Dinh Hiep120172014/04/14 15:27
by T. Ozaki
Installation problem of openmx3.7 on fedora core 19Md. Mehboob Alam112592014/04/10 02:16
by Masoud
==Artem Pulkin358892014/03/17 17:14
by T. Ozaki
Problem about Graphenewdaobin116952014/03/17 17:06
by T. Ozaki
pseudopotential and atomic basis dai157762014/03/17 16:51
by T. Ozaki
Visualization of OpenMX dataDenis Music117672014/03/17 16:48
by T. Ozaki
Change the number of data point in Density of States calculationDUONG Dinh Hiep115062014/03/17 16:36
by T. Ozaki
Optimised ZnO (1010) nonpolar surfaceMoh. Adhib Ulil Abso326332014/02/20 12:13
by Moh Adhib Ulil Abso
Patch 3.7.8 to OpenMX Ver. 3.7T. Ozaki020372014/02/17 12:16
by T. Ozaki
Current in *.current file from NEGFJ117312014/02/07 15:35
by T. Ozaki
Running openMX on Cray XC30 Yu Xie217222014/02/07 04:43
by Yu Xie
unit of cube fileJ332222014/01/31 23:32
by J
Patch 3.7.7 to OpenMX Ver. 3.7T. Ozaki049322014/01/31 17:40
by T. Ozaki
Kohn Sham energy levels and Hartree potentialLe The Anh941912014/01/29 18:34
by Le The Anh
Exchange coupling of Fe atoms- first nearest neighbor Kamaram Munira155992014/01/28 09:47
by T. Ozaki
pseudopotential for positive charged atomsJT117042014/01/28 09:44
by T. Ozaki
Mr.Yu Xie167382014/01/24 02:25
by Yu Xie
My first postImeldran012412013/12/27 02:21
by Imeldran
charge density in a given energy rangeJ217102013/12/25 12:56
by J
light speed in the codeWenLiang_liu120982013/12/25 04:21
by T. Ozaki
<RF> ERROR, aborting yugd114622013/12/25 04:16
by T. Ozaki
Atom projected band structureEike Schwier116162013/12/25 04:13
by T. Ozaki
Stress calculationSomesh Bhattacharya114652013/12/25 04:11
by T. Ozaki

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