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Topics Author Replies Views Last Modified
Band Dispersion ProblemKhalid Ibne Masood37592015/04/25 22:45
by PR
Question about PAO cut radii and size of unit cells in NEGF calculation kzhoulatte1015102015/04/14 04:31
by kzhoulatte
restart file error on EvsLC calculation.Seungjin29222015/04/08 21:29
by Seungjin
Confusion about the index in HS.fileout Hamiltoniankzhoulatte78232015/04/08 05:26
by kzhoulatte
orbital coefficientZT37462015/04/07 09:28
by T. Ozaki
-Dnosse option and Krylov Lee, Sungjin26882015/04/06 20:22
by Lee, Sungjin
real space hopping integralRiemann18812015/04/06 18:39
by T. Ozaki
Exracting Tight binding parameters from MLWF calculationRiemann038202015/04/05 03:57
by Riemann
scf convergence issues in NEGF calculationsAaron Thong612492015/03/31 21:48
by Artem Pulkin
how to fix Unit cell angleJai Prakash17062015/03/31 21:11
by Aaron Thong
Notes on Compilation of OpenMXT. Ozaki07642015/03/31 11:49
by T. Ozaki
For the K points setting using Monkhorst-Pack method, can I force the k points to include Gamma?Kuan Zhou348292015/03/30 17:47
by Artem Pulkin
For band calculation of MoS2, I found band edges are correct, but not for the higher bands.Kuan Zhou412622015/03/30 05:03
by Kuan Zhou
Optimization NOT converged when calculation wannier functionhuei chen08472015/03/26 17:28
by huei chen
Turning off calculation of forcesFelipe Jornada16582015/03/26 13:37
by T. Ozaki
bandstructure problemMosahar119382015/03/25 20:59
by Mosahar
prallel installationHaider Abbas16882015/03/25 01:03
by sungwoojang
PDOS for arbitrary orbitalSeungjin39952015/03/16 18:01
by Seungjin
RezaBehjatmanesh19302015/03/13 23:26
by Reza
error of negfWeiqi Lee06582015/03/13 19:09
by Weiqi Lee
A unable to understand problem in NEGF calculationWeiqi Lee07062015/03/13 18:44
by Weiqi Lee
Optical propertiese of GrapheneSmart17382015/03/10 13:36
by T. Ozaki
What does d1~d5 mean in PDOS file?Seungjin27522015/03/04 13:00
by Seungjin
openmx and linux distributionMosahhar1012222015/03/02 19:03
by marcindulak
Output files on HPC facilitiesMauro Sgroi16292015/02/26 09:40
by T. Ozaki
DFT+U: different oxidation states on the same element (charge ordering)Mauro Sgroi28212015/02/23 23:27
by Mauro Sgroi
Pseudo-potential for fictitious atomsPR38532015/02/23 03:21
by PR
Patch 3.7.10 to OpenMX Ver. 3.7T. Ozaki07542015/02/21 23:16
by T. Ozaki
Patch 3.7.9 to OpenMX Ver. 3.7T. Ozaki28672015/02/21 22:50
by marcindulak
atomic structure for NEGFDarek59532015/02/20 19:31
by Darek
Small problem in bandgnu13 fileSeungjin16992015/02/20 16:57
by T. Ozaki
installation problemMosahhar18352015/02/20 13:18
by T. Ozaki
OpenMX consumes memory and diesArtem Pulkin17712015/02/20 13:15
by T. Ozaki
Compile Error!masoud1248772015/02/19 00:05
by Masoud
scf convergence problem on Iron based supercell consisting of 484 atomsYueqiang Gu59482015/02/11 11:47
by Yueqiang Gu
scf convergence problem of Pt(111) slabWang Yuanqing1013722015/02/10 21:45
by T. Ozaki
pseudo-atomic basis orbitalsRiemann18882015/02/10 21:38
by T. Ozaki
how to read *.md file using XCrySDen softwareWang Yuanqing310322015/02/10 19:13
by Denis Music
Total energy in NEGFArtem Pulkin64942015/01/29 18:56
by Artem Pulkin
Transmisson through siliceneVahid07042015/01/22 20:23
by Vahid
MLWF obtained from OpenMXGuodong Yu49432015/01/22 11:10
by Guodong Yu
Electrostatic potential between leads in NEGF transport calculationsKonstantin Khromov27222015/01/20 19:45
by Konstantin Khromov
gcc errorWilliam18102014/12/15 14:27
by T.V.T. Duy
problem about example Gly_NH.datWang Yuanqing27472014/12/12 10:46
by Yuanqing Wang
The 3rd OpenMX/QMAS workshopT. Ozaki08942014/12/11 23:56
by T. Ozaki
mismatched energy values on same symmetry pointsKuraya37392014/12/11 22:12
by T. Ozaki
no error no run!masoud16432014/12/11 01:24
by Artem Pulkin
md calculation errorWang Yuanqing17892014/12/10 19:09
by Artem Pulkin
PAO and VPS for CarbonKonstantin Khromov28692014/11/27 06:26
by T. Ozaki
DoctorKonstantin Khromov17112014/11/26 20:29
by Konstantin Khromov

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