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Topics Author Replies Views Last Modified
Regarding error in results of NEGF calculationKZ422382015/06/14 13:32
by KZ
TranMainboshra134852015/06/13 19:06
by Riemann
Diagonal terms in overlap matrix not equalled to 1KZ1023702015/06/12 19:15
by Artem Pulkin
PAV in Openmx?Giovanni120782015/06/09 23:32
by Artem Pulkin
How to generate a mixed pseudopotentialPR357382015/06/09 17:32
by T. Ozaki
Unfolding band structureEike F. Schwier222392015/06/09 12:05
by Eike F. Schwier
Charge density in .dden.cubeArtem Pulkin117852015/06/08 15:04
by T. Ozaki
Possible bug in restart file readingAaron Thong116942015/06/04 18:11
by T. Ozaki
Electrostatic PotentialGiovanni217592015/05/26 21:33
by Giovanni
problem of instalationyouna220742015/05/24 06:36
by youna
Exchange parameterRakesh Kar018062015/04/29 21:37
by Rakesh Kar
Band Dispersion ProblemKhalid Ibne Masood318222015/04/25 22:45
by PR
Question about PAO cut radii and size of unit cells in NEGF calculation kzhoulatte1030112015/04/14 04:31
by kzhoulatte
restart file error on EvsLC calculation.Seungjin223342015/04/08 21:29
by Seungjin
Confusion about the index in HS.fileout Hamiltoniankzhoulatte726192015/04/08 05:26
by kzhoulatte
orbital coefficientZT318252015/04/07 09:28
by T. Ozaki
-Dnosse option and Krylov Lee, Sungjin216912015/04/06 20:22
by Lee, Sungjin
real space hopping integralRiemann121042015/04/06 18:39
by T. Ozaki
Exracting Tight binding parameters from MLWF calculationRiemann051402015/04/05 03:57
by Riemann
scf convergence issues in NEGF calculationsAaron Thong627912015/03/31 21:48
by Artem Pulkin
how to fix Unit cell angleJai Prakash117772015/03/31 21:11
by Aaron Thong
Notes on Compilation of OpenMXT. Ozaki018642015/03/31 11:49
by T. Ozaki
For the K points setting using Monkhorst-Pack method, can I force the k points to include Gamma?Kuan Zhou383342015/03/30 17:47
by Artem Pulkin
For band calculation of MoS2, I found band edges are correct, but not for the higher bands.Kuan Zhou427022015/03/30 05:03
by Kuan Zhou
Optimization NOT converged when calculation wannier functionhuei chen025692015/03/26 17:28
by huei chen
Turning off calculation of forcesFelipe Jornada118242015/03/26 13:37
by T. Ozaki
bandstructure problemMosahar1123282015/03/25 20:59
by Mosahar
prallel installationHaider Abbas117912015/03/25 01:03
by sungwoojang
PDOS for arbitrary orbitalSeungjin321012015/03/16 18:01
by Seungjin
RezaBehjatmanesh121512015/03/13 23:26
by Reza
error of negfWeiqi Lee017502015/03/13 19:09
by Weiqi Lee
A unable to understand problem in NEGF calculationWeiqi Lee017322015/03/13 18:44
by Weiqi Lee
Optical propertiese of GrapheneSmart117892015/03/10 13:36
by T. Ozaki
What does d1~d5 mean in PDOS file?Seungjin220782015/03/04 13:00
by Seungjin
openmx and linux distributionMosahhar1026752015/03/02 19:03
by marcindulak
Output files on HPC facilitiesMauro Sgroi116952015/02/26 09:40
by T. Ozaki
DFT+U: different oxidation states on the same element (charge ordering)Mauro Sgroi219562015/02/23 23:27
by Mauro Sgroi
Pseudo-potential for fictitious atomsPR322302015/02/23 03:21
by PR
Patch 3.7.10 to OpenMX Ver. 3.7T. Ozaki017702015/02/21 23:16
by T. Ozaki
Patch 3.7.9 to OpenMX Ver. 3.7T. Ozaki219852015/02/21 22:50
by marcindulak
atomic structure for NEGFDarek522542015/02/20 19:31
by Darek
Small problem in bandgnu13 fileSeungjin117062015/02/20 16:57
by T. Ozaki
installation problemMosahhar119632015/02/20 13:18
by T. Ozaki
OpenMX consumes memory and diesArtem Pulkin118982015/02/20 13:15
by T. Ozaki
Compile Error!masoud1288172015/02/19 00:05
by Masoud
scf convergence problem on Iron based supercell consisting of 484 atomsYueqiang Gu521592015/02/11 11:47
by Yueqiang Gu
scf convergence problem of Pt(111) slabWang Yuanqing1030532015/02/10 21:45
by T. Ozaki
pseudo-atomic basis orbitalsRiemann123932015/02/10 21:38
by T. Ozaki
how to read *.md file using XCrySDen softwareWang Yuanqing325782015/02/10 19:13
by Denis Music
Total energy in NEGFArtem Pulkin617062015/01/29 18:56
by Artem Pulkin

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