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

List of Threads

Topics Author Replies Views Last Modified
*.sden.cubeRiemann212322015/06/16 17:06
by Riemann
Regarding error in results of NEGF calculationKZ416232015/06/14 13:32
by KZ
TranMainboshra129272015/06/13 19:06
by Riemann
Diagonal terms in overlap matrix not equalled to 1KZ1016992015/06/12 19:15
by Artem Pulkin
PAV in Openmx?Giovanni114912015/06/09 23:32
by Artem Pulkin
How to generate a mixed pseudopotentialPR348952015/06/09 17:32
by T. Ozaki
Unfolding band structureEike F. Schwier216722015/06/09 12:05
by Eike F. Schwier
Charge density in .dden.cubeArtem Pulkin112512015/06/08 15:04
by T. Ozaki
Possible bug in restart file readingAaron Thong111352015/06/04 18:11
by T. Ozaki
Electrostatic PotentialGiovanni211972015/05/26 21:33
by Giovanni
problem of instalationyouna214762015/05/24 06:36
by youna
Exchange parameterRakesh Kar012772015/04/29 21:37
by Rakesh Kar
Band Dispersion ProblemKhalid Ibne Masood312952015/04/25 22:45
by PR
Question about PAO cut radii and size of unit cells in NEGF calculation kzhoulatte1023182015/04/14 04:31
by kzhoulatte
restart file error on EvsLC calculation.Seungjin216502015/04/08 21:29
by Seungjin
Confusion about the index in HS.fileout Hamiltoniankzhoulatte716132015/04/08 05:26
by kzhoulatte
orbital coefficientZT312812015/04/07 09:28
by T. Ozaki
-Dnosse option and Krylov Lee, Sungjin211702015/04/06 20:22
by Lee, Sungjin
real space hopping integralRiemann114922015/04/06 18:39
by T. Ozaki
Exracting Tight binding parameters from MLWF calculationRiemann045332015/04/05 03:57
by Riemann
scf convergence issues in NEGF calculationsAaron Thong620022015/03/31 21:48
by Artem Pulkin
how to fix Unit cell angleJai Prakash112372015/03/31 21:11
by Aaron Thong
Notes on Compilation of OpenMXT. Ozaki012892015/03/31 11:49
by T. Ozaki
For the K points setting using Monkhorst-Pack method, can I force the k points to include Gamma?Kuan Zhou370572015/03/30 17:47
by Artem Pulkin
For band calculation of MoS2, I found band edges are correct, but not for the higher bands.Kuan Zhou420302015/03/30 05:03
by Kuan Zhou
Optimization NOT converged when calculation wannier functionhuei chen019312015/03/26 17:28
by huei chen
Turning off calculation of forcesFelipe Jornada112682015/03/26 13:37
by T. Ozaki
bandstructure problemMosahar1116292015/03/25 20:59
by Mosahar
prallel installationHaider Abbas112202015/03/25 01:03
by sungwoojang
PDOS for arbitrary orbitalSeungjin315902015/03/16 18:01
by Seungjin
RezaBehjatmanesh115792015/03/13 23:26
by Reza
error of negfWeiqi Lee012132015/03/13 19:09
by Weiqi Lee
A unable to understand problem in NEGF calculationWeiqi Lee012172015/03/13 18:44
by Weiqi Lee
Optical propertiese of GrapheneSmart112422015/03/10 13:36
by T. Ozaki
What does d1~d5 mean in PDOS file?Seungjin214252015/03/04 13:00
by Seungjin
openmx and linux distributionMosahhar1019362015/03/02 19:03
by marcindulak
Output files on HPC facilitiesMauro Sgroi111652015/02/26 09:40
by T. Ozaki
DFT+U: different oxidation states on the same element (charge ordering)Mauro Sgroi213622015/02/23 23:27
by Mauro Sgroi
Pseudo-potential for fictitious atomsPR315912015/02/23 03:21
by PR
Patch 3.7.10 to OpenMX Ver. 3.7T. Ozaki012422015/02/21 23:16
by T. Ozaki
Patch 3.7.9 to OpenMX Ver. 3.7T. Ozaki213662015/02/21 22:50
by marcindulak
atomic structure for NEGFDarek516502015/02/20 19:31
by Darek
Small problem in bandgnu13 fileSeungjin111872015/02/20 16:57
by T. Ozaki
installation problemMosahhar114052015/02/20 13:18
by T. Ozaki
OpenMX consumes memory and diesArtem Pulkin113462015/02/20 13:15
by T. Ozaki
Compile Error!masoud1276052015/02/19 00:05
by Masoud
scf convergence problem on Iron based supercell consisting of 484 atomsYueqiang Gu516042015/02/11 11:47
by Yueqiang Gu
scf convergence problem of Pt(111) slabWang Yuanqing1022502015/02/10 21:45
by T. Ozaki
pseudo-atomic basis orbitalsRiemann117472015/02/10 21:38
by T. Ozaki
how to read *.md file using XCrySDen softwareWang Yuanqing319862015/02/10 19:13
by Denis Music

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]


Open Thread    Locked Thread    Alarm(More than 180 replies)   Message from Administrator


- Web Patio -