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Topics Author Replies Views Last Modified
LCAO coefficientsEike F. Schwier659112015/08/07 12:41
by T. Ozaki
Order N methods for NEGF calculationKZ113612015/08/06 11:28
by T. Ozaki
Problem with NEB restart and with specifying pathMauro Sgroi114892015/08/06 10:40
by T. Ozaki
Keep getting Segmentation fault for large NEGF calculationsKZ113172015/08/06 10:36
by T. Ozaki
Molecular dynamics for charged paricles of ionic electrolytesA. Chow126492015/08/06 10:28
by T. Ozaki
Geometry optimization using Krylov subspace methodLK112712015/08/06 10:18
by T. Ozaki
Bulk transport systemKhalid446542015/07/07 02:51
by Khalid
Some questions about transportkhalid215002015/06/24 17:05
by khalid
O(N) Calculations for Cases with Spin Orbit CouplingKZ533972015/06/24 10:33
by KZ
*.sden.cubeRiemann213192015/06/16 17:06
by Riemann
Regarding error in results of NEGF calculationKZ417182015/06/14 13:32
by KZ
TranMainboshra130092015/06/13 19:06
by Riemann
Diagonal terms in overlap matrix not equalled to 1KZ1017792015/06/12 19:15
by Artem Pulkin
PAV in Openmx?Giovanni115742015/06/09 23:32
by Artem Pulkin
How to generate a mixed pseudopotentialPR350272015/06/09 17:32
by T. Ozaki
Unfolding band structureEike F. Schwier217672015/06/09 12:05
by Eike F. Schwier
Charge density in .dden.cubeArtem Pulkin113262015/06/08 15:04
by T. Ozaki
Possible bug in restart file readingAaron Thong112122015/06/04 18:11
by T. Ozaki
Electrostatic PotentialGiovanni212852015/05/26 21:33
by Giovanni
problem of instalationyouna215572015/05/24 06:36
by youna
Exchange parameterRakesh Kar013632015/04/29 21:37
by Rakesh Kar
Band Dispersion ProblemKhalid Ibne Masood313662015/04/25 22:45
by PR
Question about PAO cut radii and size of unit cells in NEGF calculation kzhoulatte1024142015/04/14 04:31
by kzhoulatte
restart file error on EvsLC calculation.Seungjin217462015/04/08 21:29
by Seungjin
Confusion about the index in HS.fileout Hamiltoniankzhoulatte717742015/04/08 05:26
by kzhoulatte
orbital coefficientZT313702015/04/07 09:28
by T. Ozaki
-Dnosse option and Krylov Lee, Sungjin212572015/04/06 20:22
by Lee, Sungjin
real space hopping integralRiemann115822015/04/06 18:39
by T. Ozaki
Exracting Tight binding parameters from MLWF calculationRiemann046262015/04/05 03:57
by Riemann
scf convergence issues in NEGF calculationsAaron Thong620762015/03/31 21:48
by Artem Pulkin
how to fix Unit cell angleJai Prakash113062015/03/31 21:11
by Aaron Thong
Notes on Compilation of OpenMXT. Ozaki013742015/03/31 11:49
by T. Ozaki
For the K points setting using Monkhorst-Pack method, can I force the k points to include Gamma?Kuan Zhou373322015/03/30 17:47
by Artem Pulkin
For band calculation of MoS2, I found band edges are correct, but not for the higher bands.Kuan Zhou421502015/03/30 05:03
by Kuan Zhou
Optimization NOT converged when calculation wannier functionhuei chen020472015/03/26 17:28
by huei chen
Turning off calculation of forcesFelipe Jornada113432015/03/26 13:37
by T. Ozaki
bandstructure problemMosahar1117212015/03/25 20:59
by Mosahar
prallel installationHaider Abbas113022015/03/25 01:03
by sungwoojang
PDOS for arbitrary orbitalSeungjin316622015/03/16 18:01
by Seungjin
RezaBehjatmanesh116582015/03/13 23:26
by Reza
error of negfWeiqi Lee012812015/03/13 19:09
by Weiqi Lee
A unable to understand problem in NEGF calculationWeiqi Lee012902015/03/13 18:44
by Weiqi Lee
Optical propertiese of GrapheneSmart113222015/03/10 13:36
by T. Ozaki
What does d1~d5 mean in PDOS file?Seungjin215322015/03/04 13:00
by Seungjin
openmx and linux distributionMosahhar1020342015/03/02 19:03
by marcindulak
Output files on HPC facilitiesMauro Sgroi112452015/02/26 09:40
by T. Ozaki
DFT+U: different oxidation states on the same element (charge ordering)Mauro Sgroi214312015/02/23 23:27
by Mauro Sgroi
Pseudo-potential for fictitious atomsPR316652015/02/23 03:21
by PR
Patch 3.7.10 to OpenMX Ver. 3.7T. Ozaki013092015/02/21 23:16
by T. Ozaki
Patch 3.7.9 to OpenMX Ver. 3.7T. Ozaki214532015/02/21 22:50
by marcindulak

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