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Topics Author Replies Views Last Modified
Some questions about transportkhalid212332015/06/24 17:05
by khalid
O(N) Calculations for Cases with Spin Orbit CouplingKZ529752015/06/24 10:33
by KZ
*.sden.cubeRiemann210322015/06/16 17:06
by Riemann
Regarding error in results of NEGF calculationKZ413292015/06/14 13:32
by KZ
TranMainboshra126752015/06/13 19:06
by Riemann
Diagonal terms in overlap matrix not equalled to 1KZ1013822015/06/12 19:15
by Artem Pulkin
PAV in Openmx?Giovanni112752015/06/09 23:32
by Artem Pulkin
How to generate a mixed pseudopotentialPR346032015/06/09 17:32
by T. Ozaki
Unfolding band structureEike F. Schwier214262015/06/09 12:05
by Eike F. Schwier
Charge density in .dden.cubeArtem Pulkin110142015/06/08 15:04
by T. Ozaki
Possible bug in restart file readingAaron Thong19192015/06/04 18:11
by T. Ozaki
Electrostatic PotentialGiovanni29662015/05/26 21:33
by Giovanni
problem of instalationyouna212522015/05/24 06:36
by youna
Exchange parameterRakesh Kar010702015/04/29 21:37
by Rakesh Kar
Band Dispersion ProblemKhalid Ibne Masood310792015/04/25 22:45
by PR
Question about PAO cut radii and size of unit cells in NEGF calculation kzhoulatte1019922015/04/14 04:31
by kzhoulatte
restart file error on EvsLC calculation.Seungjin214062015/04/08 21:29
by Seungjin
Confusion about the index in HS.fileout Hamiltoniankzhoulatte712512015/04/08 05:26
by kzhoulatte
orbital coefficientZT310492015/04/07 09:28
by T. Ozaki
-Dnosse option and Krylov Lee, Sungjin29612015/04/06 20:22
by Lee, Sungjin
real space hopping integralRiemann112532015/04/06 18:39
by T. Ozaki
Exracting Tight binding parameters from MLWF calculationRiemann042792015/04/05 03:57
by Riemann
scf convergence issues in NEGF calculationsAaron Thong617252015/03/31 21:48
by Artem Pulkin
how to fix Unit cell angleJai Prakash110452015/03/31 21:11
by Aaron Thong
Notes on Compilation of OpenMXT. Ozaki010882015/03/31 11:49
by T. Ozaki
For the K points setting using Monkhorst-Pack method, can I force the k points to include Gamma?Kuan Zhou363142015/03/30 17:47
by Artem Pulkin
For band calculation of MoS2, I found band edges are correct, but not for the higher bands.Kuan Zhou417312015/03/30 05:03
by Kuan Zhou
Optimization NOT converged when calculation wannier functionhuei chen016612015/03/26 17:28
by huei chen
Turning off calculation of forcesFelipe Jornada110252015/03/26 13:37
by T. Ozaki
bandstructure problemMosahar1113342015/03/25 20:59
by Mosahar
prallel installationHaider Abbas110072015/03/25 01:03
by sungwoojang
PDOS for arbitrary orbitalSeungjin313572015/03/16 18:01
by Seungjin
RezaBehjatmanesh113602015/03/13 23:26
by Reza
error of negfWeiqi Lee010032015/03/13 19:09
by Weiqi Lee
A unable to understand problem in NEGF calculationWeiqi Lee09942015/03/13 18:44
by Weiqi Lee
Optical propertiese of GrapheneSmart110212015/03/10 13:36
by T. Ozaki
What does d1~d5 mean in PDOS file?Seungjin211222015/03/04 13:00
by Seungjin
openmx and linux distributionMosahhar1016852015/03/02 19:03
by marcindulak
Output files on HPC facilitiesMauro Sgroi19302015/02/26 09:40
by T. Ozaki
DFT+U: different oxidation states on the same element (charge ordering)Mauro Sgroi211502015/02/23 23:27
by Mauro Sgroi
Pseudo-potential for fictitious atomsPR313412015/02/23 03:21
by PR
Patch 3.7.10 to OpenMX Ver. 3.7T. Ozaki010312015/02/21 23:16
by T. Ozaki
Patch 3.7.9 to OpenMX Ver. 3.7T. Ozaki211602015/02/21 22:50
by marcindulak
atomic structure for NEGFDarek513512015/02/20 19:31
by Darek
Small problem in bandgnu13 fileSeungjin19742015/02/20 16:57
by T. Ozaki
installation problemMosahhar112062015/02/20 13:18
by T. Ozaki
OpenMX consumes memory and diesArtem Pulkin110912015/02/20 13:15
by T. Ozaki
Compile Error!masoud1268282015/02/19 00:05
by Masoud
scf convergence problem on Iron based supercell consisting of 484 atomsYueqiang Gu513712015/02/11 11:47
by Yueqiang Gu
scf convergence problem of Pt(111) slabWang Yuanqing1019242015/02/10 21:45
by T. Ozaki

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