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Topics Author Replies Views Last Modified
NEGF in GrapheneKhalid212172015/08/08 23:34
by Khalid
LCAO coefficientsEike F. Schwier652882015/08/07 12:41
by T. Ozaki
Order N methods for NEGF calculationKZ110312015/08/06 11:28
by T. Ozaki
Problem with NEB restart and with specifying pathMauro Sgroi111272015/08/06 10:40
by T. Ozaki
Keep getting Segmentation fault for large NEGF calculationsKZ19982015/08/06 10:36
by T. Ozaki
Molecular dynamics for charged paricles of ionic electrolytesA. Chow123382015/08/06 10:28
by T. Ozaki
Geometry optimization using Krylov subspace methodLK19512015/08/06 10:18
by T. Ozaki
Bulk transport systemKhalid442812015/07/07 02:51
by Khalid
Some questions about transportkhalid212072015/06/24 17:05
by khalid
O(N) Calculations for Cases with Spin Orbit CouplingKZ529292015/06/24 10:33
by KZ
*.sden.cubeRiemann210092015/06/16 17:06
by Riemann
Regarding error in results of NEGF calculationKZ412952015/06/14 13:32
by KZ
TranMainboshra126352015/06/13 19:06
by Riemann
Diagonal terms in overlap matrix not equalled to 1KZ1013452015/06/12 19:15
by Artem Pulkin
PAV in Openmx?Giovanni112412015/06/09 23:32
by Artem Pulkin
How to generate a mixed pseudopotentialPR345432015/06/09 17:32
by T. Ozaki
Unfolding band structureEike F. Schwier214052015/06/09 12:05
by Eike F. Schwier
Charge density in .dden.cubeArtem Pulkin19862015/06/08 15:04
by T. Ozaki
Possible bug in restart file readingAaron Thong18882015/06/04 18:11
by T. Ozaki
Electrostatic PotentialGiovanni29432015/05/26 21:33
by Giovanni
problem of instalationyouna212162015/05/24 06:36
by youna
Exchange parameterRakesh Kar010462015/04/29 21:37
by Rakesh Kar
Band Dispersion ProblemKhalid Ibne Masood310522015/04/25 22:45
by PR
Question about PAO cut radii and size of unit cells in NEGF calculation kzhoulatte1019612015/04/14 04:31
by kzhoulatte
restart file error on EvsLC calculation.Seungjin213692015/04/08 21:29
by Seungjin
Confusion about the index in HS.fileout Hamiltoniankzhoulatte712242015/04/08 05:26
by kzhoulatte
orbital coefficientZT310212015/04/07 09:28
by T. Ozaki
-Dnosse option and Krylov Lee, Sungjin29342015/04/06 20:22
by Lee, Sungjin
real space hopping integralRiemann112102015/04/06 18:39
by T. Ozaki
Exracting Tight binding parameters from MLWF calculationRiemann042472015/04/05 03:57
by Riemann
scf convergence issues in NEGF calculationsAaron Thong616802015/03/31 21:48
by Artem Pulkin
how to fix Unit cell angleJai Prakash110132015/03/31 21:11
by Aaron Thong
Notes on Compilation of OpenMXT. Ozaki010572015/03/31 11:49
by T. Ozaki
For the K points setting using Monkhorst-Pack method, can I force the k points to include Gamma?Kuan Zhou361852015/03/30 17:47
by Artem Pulkin
For band calculation of MoS2, I found band edges are correct, but not for the higher bands.Kuan Zhou416882015/03/30 05:03
by Kuan Zhou
Optimization NOT converged when calculation wannier functionhuei chen016272015/03/26 17:28
by huei chen
Turning off calculation of forcesFelipe Jornada19932015/03/26 13:37
by T. Ozaki
bandstructure problemMosahar1113022015/03/25 20:59
by Mosahar
prallel installationHaider Abbas19812015/03/25 01:03
by sungwoojang
PDOS for arbitrary orbitalSeungjin313252015/03/16 18:01
by Seungjin
RezaBehjatmanesh113252015/03/13 23:26
by Reza
error of negfWeiqi Lee09732015/03/13 19:09
by Weiqi Lee
A unable to understand problem in NEGF calculationWeiqi Lee09702015/03/13 18:44
by Weiqi Lee
Optical propertiese of GrapheneSmart19892015/03/10 13:36
by T. Ozaki
What does d1~d5 mean in PDOS file?Seungjin210792015/03/04 13:00
by Seungjin
openmx and linux distributionMosahhar1016442015/03/02 19:03
by marcindulak
Output files on HPC facilitiesMauro Sgroi19052015/02/26 09:40
by T. Ozaki
DFT+U: different oxidation states on the same element (charge ordering)Mauro Sgroi211202015/02/23 23:27
by Mauro Sgroi
Pseudo-potential for fictitious atomsPR313092015/02/23 03:21
by PR
Patch 3.7.10 to OpenMX Ver. 3.7T. Ozaki010032015/02/21 23:16
by T. Ozaki

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