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Topics Author Replies Views Last Modified
Any way to specify the energy range of LCAO coefficient output?Seungjin Kang15542015/08/14 18:38
by Artem Pulkin
number of bands and number of k-pointskhalid26162015/08/08 23:36
by Khalid
NEGF in GrapheneKhalid27692015/08/08 23:34
by Khalid
LCAO coefficientsEike F. Schwier641382015/08/07 12:41
by T. Ozaki
Order N methods for NEGF calculationKZ15692015/08/06 11:28
by T. Ozaki
Problem with NEB restart and with specifying pathMauro Sgroi15652015/08/06 10:40
by T. Ozaki
Keep getting Segmentation fault for large NEGF calculationsKZ15732015/08/06 10:36
by T. Ozaki
Molecular dynamics for charged paricles of ionic electrolytesA. Chow118442015/08/06 10:28
by T. Ozaki
Geometry optimization using Krylov subspace methodLK15532015/08/06 10:18
by T. Ozaki
Bulk transport systemKhalid435882015/07/07 02:51
by Khalid
Some questions about transportkhalid27252015/06/24 17:05
by khalid
O(N) Calculations for Cases with Spin Orbit CouplingKZ519882015/06/24 10:33
by KZ
*.sden.cubeRiemann25882015/06/16 17:06
by Riemann
Regarding error in results of NEGF calculationKZ47432015/06/14 13:32
by KZ
TranMainboshra18102015/06/13 19:06
by Riemann
Diagonal terms in overlap matrix not equalled to 1KZ106722015/06/12 19:15
by Artem Pulkin
PAV in Openmx?Giovanni16512015/06/09 23:32
by Artem Pulkin
How to generate a mixed pseudopotentialPR335372015/06/09 17:32
by T. Ozaki
Unfolding band structureEike F. Schwier29472015/06/09 12:05
by Eike F. Schwier
Charge density in .dden.cubeArtem Pulkin15492015/06/08 15:04
by T. Ozaki
Possible bug in restart file readingAaron Thong15192015/06/04 18:11
by T. Ozaki
Electrostatic PotentialGiovanni25312015/05/26 21:33
by Giovanni
problem of instalationyouna26052015/05/24 06:36
by youna
Exchange parameterRakesh Kar06112015/04/29 21:37
by Rakesh Kar
Band Dispersion ProblemKhalid Ibne Masood35952015/04/25 22:45
by PR
Question about PAO cut radii and size of unit cells in NEGF calculation kzhoulatte1012302015/04/14 04:31
by kzhoulatte
restart file error on EvsLC calculation.Seungjin26962015/04/08 21:29
by Seungjin
Confusion about the index in HS.fileout Hamiltoniankzhoulatte76222015/04/08 05:26
by kzhoulatte
orbital coefficientZT36192015/04/07 09:28
by T. Ozaki
-Dnosse option and Krylov Lee, Sungjin25872015/04/06 20:22
by Lee, Sungjin
real space hopping integralRiemann16922015/04/06 18:39
by T. Ozaki
Exracting Tight binding parameters from MLWF calculationRiemann034502015/04/05 03:57
by Riemann
scf convergence issues in NEGF calculationsAaron Thong610382015/03/31 21:48
by Artem Pulkin
how to fix Unit cell angleJai Prakash15852015/03/31 21:11
by Aaron Thong
Notes on Compilation of OpenMXT. Ozaki06332015/03/31 11:49
by T. Ozaki
For the K points setting using Monkhorst-Pack method, can I force the k points to include Gamma?Kuan Zhou340372015/03/30 17:47
by Artem Pulkin
For band calculation of MoS2, I found band edges are correct, but not for the higher bands.Kuan Zhou410322015/03/30 05:03
by Kuan Zhou
Optimization NOT converged when calculation wannier functionhuei chen06132015/03/26 17:28
by huei chen
Turning off calculation of forcesFelipe Jornada15442015/03/26 13:37
by T. Ozaki
bandstructure problemMosahar117282015/03/25 20:59
by Mosahar
prallel installationHaider Abbas15512015/03/25 01:03
by sungwoojang
PDOS for arbitrary orbitalSeungjin37252015/03/16 18:01
by Seungjin
RezaBehjatmanesh17162015/03/13 23:26
by Reza
error of negfWeiqi Lee05472015/03/13 19:09
by Weiqi Lee
A unable to understand problem in NEGF calculationWeiqi Lee05772015/03/13 18:44
by Weiqi Lee
Optical propertiese of GrapheneSmart15922015/03/10 13:36
by T. Ozaki
What does d1~d5 mean in PDOS file?Seungjin26162015/03/04 13:00
by Seungjin
openmx and linux distributionMosahhar109282015/03/02 19:03
by marcindulak
Output files on HPC facilitiesMauro Sgroi15202015/02/26 09:40
by T. Ozaki
DFT+U: different oxidation states on the same element (charge ordering)Mauro Sgroi26862015/02/23 23:27
by Mauro Sgroi

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