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Topics Author Replies Views Last Modified
TranMainboshra15942015/06/13 19:06
by Riemann
Diagonal terms in overlap matrix not equalled to 1KZ105322015/06/12 19:15
by Artem Pulkin
PAV in Openmx?Giovanni15032015/06/09 23:32
by Artem Pulkin
How to generate a mixed pseudopotentialPR331672015/06/09 17:32
by T. Ozaki
Unfolding band structureEike F. Schwier28182015/06/09 12:05
by Eike F. Schwier
Charge density in .dden.cubeArtem Pulkin14372015/06/08 15:04
by T. Ozaki
Possible bug in restart file readingAaron Thong14162015/06/04 18:11
by T. Ozaki
Electrostatic PotentialGiovanni24282015/05/26 21:33
by Giovanni
problem of instalationyouna24822015/05/24 06:36
by youna
Exchange parameterRakesh Kar05132015/04/29 21:37
by Rakesh Kar
Band Dispersion ProblemKhalid Ibne Masood34782015/04/25 22:45
by PR
Question about PAO cut radii and size of unit cells in NEGF calculation kzhoulatte1010912015/04/14 04:31
by kzhoulatte
restart file error on EvsLC calculation.Seungjin25402015/04/08 21:29
by Seungjin
Confusion about the index in HS.fileout Hamiltoniankzhoulatte75102015/04/08 05:26
by kzhoulatte
orbital coefficientZT35162015/04/07 09:28
by T. Ozaki
-Dnosse option and Krylov Lee, Sungjin24862015/04/06 20:22
by Lee, Sungjin
real space hopping integralRiemann15682015/04/06 18:39
by T. Ozaki
Exracting Tight binding parameters from MLWF calculationRiemann031222015/04/05 03:57
by Riemann
scf convergence issues in NEGF calculationsAaron Thong69242015/03/31 21:48
by Artem Pulkin
how to fix Unit cell angleJai Prakash14762015/03/31 21:11
by Aaron Thong
Notes on Compilation of OpenMXT. Ozaki05102015/03/31 11:49
by T. Ozaki
For the K points setting using Monkhorst-Pack method, can I force the k points to include Gamma?Kuan Zhou335562015/03/30 17:47
by Artem Pulkin
For band calculation of MoS2, I found band edges are correct, but not for the higher bands.Kuan Zhou48552015/03/30 05:03
by Kuan Zhou
Optimization NOT converged when calculation wannier functionhuei chen05002015/03/26 17:28
by huei chen
Turning off calculation of forcesFelipe Jornada14352015/03/26 13:37
by T. Ozaki
bandstructure problemMosahar116182015/03/25 20:59
by Mosahar
prallel installationHaider Abbas14572015/03/25 01:03
by sungwoojang
PDOS for arbitrary orbitalSeungjin35942015/03/16 18:01
by Seungjin
RezaBehjatmanesh16002015/03/13 23:26
by Reza
error of negfWeiqi Lee04452015/03/13 19:09
by Weiqi Lee
A unable to understand problem in NEGF calculationWeiqi Lee04612015/03/13 18:44
by Weiqi Lee
Optical propertiese of GrapheneSmart14782015/03/10 13:36
by T. Ozaki
What does d1~d5 mean in PDOS file?Seungjin24952015/03/04 13:00
by Seungjin
openmx and linux distributionMosahhar107802015/03/02 19:03
by marcindulak
Output files on HPC facilitiesMauro Sgroi14282015/02/26 09:40
by T. Ozaki
DFT+U: different oxidation states on the same element (charge ordering)Mauro Sgroi25632015/02/23 23:27
by Mauro Sgroi
Pseudo-potential for fictitious atomsPR35442015/02/23 03:21
by PR
Patch 3.7.10 to OpenMX Ver. 3.7T. Ozaki04652015/02/21 23:16
by T. Ozaki
Patch 3.7.9 to OpenMX Ver. 3.7T. Ozaki25592015/02/21 22:50
by marcindulak
atomic structure for NEGFDarek55852015/02/20 19:31
by Darek
Small problem in bandgnu13 fileSeungjin14532015/02/20 16:57
by T. Ozaki
installation problemMosahhar15362015/02/20 13:18
by T. Ozaki
OpenMX consumes memory and diesArtem Pulkin14782015/02/20 13:15
by T. Ozaki
Compile Error!masoud1234252015/02/19 00:05
by Masoud
scf convergence problem on Iron based supercell consisting of 484 atomsYueqiang Gu55672015/02/11 11:47
by Yueqiang Gu
scf convergence problem of Pt(111) slabWang Yuanqing108572015/02/10 21:45
by T. Ozaki
pseudo-atomic basis orbitalsRiemann15612015/02/10 21:38
by T. Ozaki
how to read *.md file using XCrySDen softwareWang Yuanqing37202015/02/10 19:13
by Denis Music
Total energy in NEGFArtem Pulkin61232015/01/29 18:56
by Artem Pulkin
Transmisson through siliceneVahid04072015/01/22 20:23
by Vahid

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