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Topics Author Replies Views Last Modified
Possible bug in restart file readingAaron Thong14922015/06/04 18:11
by T. Ozaki
Electrostatic PotentialGiovanni25072015/05/26 21:33
by Giovanni
problem of instalationyouna25642015/05/24 06:36
by youna
Exchange parameterRakesh Kar05852015/04/29 21:37
by Rakesh Kar
Band Dispersion ProblemKhalid Ibne Masood35632015/04/25 22:45
by PR
Question about PAO cut radii and size of unit cells in NEGF calculation kzhoulatte1011762015/04/14 04:31
by kzhoulatte
restart file error on EvsLC calculation.Seungjin26522015/04/08 21:29
by Seungjin
Confusion about the index in HS.fileout Hamiltoniankzhoulatte75852015/04/08 05:26
by kzhoulatte
orbital coefficientZT35932015/04/07 09:28
by T. Ozaki
-Dnosse option and Krylov Lee, Sungjin25582015/04/06 20:22
by Lee, Sungjin
real space hopping integralRiemann16462015/04/06 18:39
by T. Ozaki
Exracting Tight binding parameters from MLWF calculationRiemann033652015/04/05 03:57
by Riemann
scf convergence issues in NEGF calculationsAaron Thong69992015/03/31 21:48
by Artem Pulkin
how to fix Unit cell angleJai Prakash15442015/03/31 21:11
by Aaron Thong
Notes on Compilation of OpenMXT. Ozaki05982015/03/31 11:49
by T. Ozaki
For the K points setting using Monkhorst-Pack method, can I force the k points to include Gamma?Kuan Zhou339162015/03/30 17:47
by Artem Pulkin
For band calculation of MoS2, I found band edges are correct, but not for the higher bands.Kuan Zhou49672015/03/30 05:03
by Kuan Zhou
Optimization NOT converged when calculation wannier functionhuei chen05752015/03/26 17:28
by huei chen
Turning off calculation of forcesFelipe Jornada15172015/03/26 13:37
by T. Ozaki
bandstructure problemMosahar116942015/03/25 20:59
by Mosahar
prallel installationHaider Abbas15202015/03/25 01:03
by sungwoojang
PDOS for arbitrary orbitalSeungjin36862015/03/16 18:01
by Seungjin
RezaBehjatmanesh16792015/03/13 23:26
by Reza
error of negfWeiqi Lee05192015/03/13 19:09
by Weiqi Lee
A unable to understand problem in NEGF calculationWeiqi Lee05382015/03/13 18:44
by Weiqi Lee
Optical propertiese of GrapheneSmart15552015/03/10 13:36
by T. Ozaki
What does d1~d5 mean in PDOS file?Seungjin25782015/03/04 13:00
by Seungjin
openmx and linux distributionMosahhar108802015/03/02 19:03
by marcindulak
Output files on HPC facilitiesMauro Sgroi14952015/02/26 09:40
by T. Ozaki
DFT+U: different oxidation states on the same element (charge ordering)Mauro Sgroi26552015/02/23 23:27
by Mauro Sgroi
Pseudo-potential for fictitious atomsPR36282015/02/23 03:21
by PR
Patch 3.7.10 to OpenMX Ver. 3.7T. Ozaki05462015/02/21 23:16
by T. Ozaki
Patch 3.7.9 to OpenMX Ver. 3.7T. Ozaki26222015/02/21 22:50
by marcindulak
atomic structure for NEGFDarek56692015/02/20 19:31
by Darek
Small problem in bandgnu13 fileSeungjin15322015/02/20 16:57
by T. Ozaki
installation problemMosahhar16112015/02/20 13:18
by T. Ozaki
OpenMX consumes memory and diesArtem Pulkin15592015/02/20 13:15
by T. Ozaki
Compile Error!masoud1239562015/02/19 00:05
by Masoud
scf convergence problem on Iron based supercell consisting of 484 atomsYueqiang Gu56432015/02/11 11:47
by Yueqiang Gu
scf convergence problem of Pt(111) slabWang Yuanqing109592015/02/10 21:45
by T. Ozaki
pseudo-atomic basis orbitalsRiemann16522015/02/10 21:38
by T. Ozaki
how to read *.md file using XCrySDen softwareWang Yuanqing38382015/02/10 19:13
by Denis Music
Total energy in NEGFArtem Pulkin62242015/01/29 18:56
by Artem Pulkin
Transmisson through siliceneVahid04662015/01/22 20:23
by Vahid
MLWF obtained from OpenMXGuodong Yu47392015/01/22 11:10
by Guodong Yu
Electrostatic potential between leads in NEGF transport calculationsKonstantin Khromov25542015/01/20 19:45
by Konstantin Khromov
gcc errorWilliam16152014/12/15 14:27
by T.V.T. Duy
problem about example Gly_NH.datWang Yuanqing25342014/12/12 10:46
by Yuanqing Wang
The 3rd OpenMX/QMAS workshopT. Ozaki07382014/12/11 23:56
by T. Ozaki
mismatched energy values on same symmetry pointsKuraya35942014/12/11 22:12
by T. Ozaki

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