OpenMX Forum
New Thread | Return Home | Mailing List | Points of Concern | Search | Past Log | Administration    

List of Threads

Topics Author Replies Views Last Modified
Geometry optimization using Krylov subspace methodLK117882015/08/06 10:18
by T. Ozaki
Bulk transport systemKhalid452172015/07/07 02:51
by Khalid
Some questions about transportkhalid220142015/06/24 17:05
by khalid
O(N) Calculations for Cases with Spin Orbit CouplingKZ542232015/06/24 10:33
by KZ
*.sden.cubeRiemann217952015/06/16 17:06
by Riemann
Regarding error in results of NEGF calculationKZ422862015/06/14 13:32
by KZ
TranMainboshra135312015/06/13 19:06
by Riemann
Diagonal terms in overlap matrix not equalled to 1KZ1024452015/06/12 19:15
by Artem Pulkin
PAV in Openmx?Giovanni121402015/06/09 23:32
by Artem Pulkin
How to generate a mixed pseudopotentialPR358582015/06/09 17:32
by T. Ozaki
Unfolding band structureEike F. Schwier222882015/06/09 12:05
by Eike F. Schwier
Charge density in .dden.cubeArtem Pulkin118282015/06/08 15:04
by T. Ozaki
Possible bug in restart file readingAaron Thong117412015/06/04 18:11
by T. Ozaki
Electrostatic PotentialGiovanni218072015/05/26 21:33
by Giovanni
problem of instalationyouna221192015/05/24 06:36
by youna
Exchange parameterRakesh Kar018542015/04/29 21:37
by Rakesh Kar
Band Dispersion ProblemKhalid Ibne Masood318712015/04/25 22:45
by PR
Question about PAO cut radii and size of unit cells in NEGF calculation kzhoulatte1030672015/04/14 04:31
by kzhoulatte
restart file error on EvsLC calculation.Seungjin224272015/04/08 21:29
by Seungjin
Confusion about the index in HS.fileout Hamiltoniankzhoulatte727082015/04/08 05:26
by kzhoulatte
orbital coefficientZT318672015/04/07 09:28
by T. Ozaki
-Dnosse option and Krylov Lee, Sungjin217352015/04/06 20:22
by Lee, Sungjin
real space hopping integralRiemann121482015/04/06 18:39
by T. Ozaki
Exracting Tight binding parameters from MLWF calculationRiemann052002015/04/05 03:57
by Riemann
scf convergence issues in NEGF calculationsAaron Thong628762015/03/31 21:48
by Artem Pulkin
how to fix Unit cell angleJai Prakash118192015/03/31 21:11
by Aaron Thong
Notes on Compilation of OpenMXT. Ozaki019112015/03/31 11:49
by T. Ozaki
For the K points setting using Monkhorst-Pack method, can I force the k points to include Gamma?Kuan Zhou384992015/03/30 17:47
by Artem Pulkin
For band calculation of MoS2, I found band edges are correct, but not for the higher bands.Kuan Zhou427552015/03/30 05:03
by Kuan Zhou
Optimization NOT converged when calculation wannier functionhuei chen026122015/03/26 17:28
by huei chen
Turning off calculation of forcesFelipe Jornada118692015/03/26 13:37
by T. Ozaki
bandstructure problemMosahar1123842015/03/25 20:59
by Mosahar
prallel installationHaider Abbas118372015/03/25 01:03
by sungwoojang
PDOS for arbitrary orbitalSeungjin321422015/03/16 18:01
by Seungjin
RezaBehjatmanesh121862015/03/13 23:26
by Reza
error of negfWeiqi Lee017972015/03/13 19:09
by Weiqi Lee
A unable to understand problem in NEGF calculationWeiqi Lee017782015/03/13 18:44
by Weiqi Lee
Optical propertiese of GrapheneSmart118342015/03/10 13:36
by T. Ozaki
What does d1~d5 mean in PDOS file?Seungjin221272015/03/04 13:00
by Seungjin
openmx and linux distributionMosahhar1027192015/03/02 19:03
by marcindulak
Output files on HPC facilitiesMauro Sgroi117472015/02/26 09:40
by T. Ozaki
DFT+U: different oxidation states on the same element (charge ordering)Mauro Sgroi220152015/02/23 23:27
by Mauro Sgroi
Pseudo-potential for fictitious atomsPR322872015/02/23 03:21
by PR
Patch 3.7.10 to OpenMX Ver. 3.7T. Ozaki018222015/02/21 23:16
by T. Ozaki
Patch 3.7.9 to OpenMX Ver. 3.7T. Ozaki220322015/02/21 22:50
by marcindulak
atomic structure for NEGFDarek523162015/02/20 19:31
by Darek
Small problem in bandgnu13 fileSeungjin117572015/02/20 16:57
by T. Ozaki
installation problemMosahhar120112015/02/20 13:18
by T. Ozaki
OpenMX consumes memory and diesArtem Pulkin119472015/02/20 13:15
by T. Ozaki
Compile Error!masoud1288842015/02/19 00:05
by Masoud

Page: [1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [13] [14] [15] [16] [17] [18] [19] [20] [21] [22] [23] [24] [25] [26] [27] [28] [29] [30] [31] [32]


Open Thread    Locked Thread    Alarm(More than 900 replies)   Message from Administrator


- Web Patio -