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Topics Author Replies Views Last Modified
Geometry optimization using Krylov subspace methodLK115512015/08/06 10:18
by T. Ozaki
Bulk transport systemKhalid449932015/07/07 02:51
by Khalid
Some questions about transportkhalid217712015/06/24 17:05
by khalid
O(N) Calculations for Cases with Spin Orbit CouplingKZ538612015/06/24 10:33
by KZ
*.sden.cubeRiemann215852015/06/16 17:06
by Riemann
Regarding error in results of NEGF calculationKZ420252015/06/14 13:32
by KZ
TranMainboshra132882015/06/13 19:06
by Riemann
Diagonal terms in overlap matrix not equalled to 1KZ1021452015/06/12 19:15
by Artem Pulkin
PAV in Openmx?Giovanni118632015/06/09 23:32
by Artem Pulkin
How to generate a mixed pseudopotentialPR354422015/06/09 17:32
by T. Ozaki
Unfolding band structureEike F. Schwier220642015/06/09 12:05
by Eike F. Schwier
Charge density in .dden.cubeArtem Pulkin116072015/06/08 15:04
by T. Ozaki
Possible bug in restart file readingAaron Thong115082015/06/04 18:11
by T. Ozaki
Electrostatic PotentialGiovanni215842015/05/26 21:33
by Giovanni
problem of instalationyouna219062015/05/24 06:36
by youna
Exchange parameterRakesh Kar016362015/04/29 21:37
by Rakesh Kar
Band Dispersion ProblemKhalid Ibne Masood316552015/04/25 22:45
by PR
Question about PAO cut radii and size of unit cells in NEGF calculation kzhoulatte1027832015/04/14 04:31
by kzhoulatte
restart file error on EvsLC calculation.Seungjin221392015/04/08 21:29
by Seungjin
Confusion about the index in HS.fileout Hamiltoniankzhoulatte723582015/04/08 05:26
by kzhoulatte
orbital coefficientZT316672015/04/07 09:28
by T. Ozaki
-Dnosse option and Krylov Lee, Sungjin215312015/04/06 20:22
by Lee, Sungjin
real space hopping integralRiemann119272015/04/06 18:39
by T. Ozaki
Exracting Tight binding parameters from MLWF calculationRiemann049402015/04/05 03:57
by Riemann
scf convergence issues in NEGF calculationsAaron Thong625042015/03/31 21:48
by Artem Pulkin
how to fix Unit cell angleJai Prakash115812015/03/31 21:11
by Aaron Thong
Notes on Compilation of OpenMXT. Ozaki016682015/03/31 11:49
by T. Ozaki
For the K points setting using Monkhorst-Pack method, can I force the k points to include Gamma?Kuan Zhou379532015/03/30 17:47
by Artem Pulkin
For band calculation of MoS2, I found band edges are correct, but not for the higher bands.Kuan Zhou425032015/03/30 05:03
by Kuan Zhou
Optimization NOT converged when calculation wannier functionhuei chen023982015/03/26 17:28
by huei chen
Turning off calculation of forcesFelipe Jornada116302015/03/26 13:37
by T. Ozaki
bandstructure problemMosahar1120912015/03/25 20:59
by Mosahar
prallel installationHaider Abbas115962015/03/25 01:03
by sungwoojang
PDOS for arbitrary orbitalSeungjin319492015/03/16 18:01
by Seungjin
RezaBehjatmanesh119802015/03/13 23:26
by Reza
error of negfWeiqi Lee015812015/03/13 19:09
by Weiqi Lee
A unable to understand problem in NEGF calculationWeiqi Lee015722015/03/13 18:44
by Weiqi Lee
Optical propertiese of GrapheneSmart116302015/03/10 13:36
by T. Ozaki
What does d1~d5 mean in PDOS file?Seungjin218562015/03/04 13:00
by Seungjin
openmx and linux distributionMosahhar1024612015/03/02 19:03
by marcindulak
Output files on HPC facilitiesMauro Sgroi115202015/02/26 09:40
by T. Ozaki
DFT+U: different oxidation states on the same element (charge ordering)Mauro Sgroi217492015/02/23 23:27
by Mauro Sgroi
Pseudo-potential for fictitious atomsPR320002015/02/23 03:21
by PR
Patch 3.7.10 to OpenMX Ver. 3.7T. Ozaki015912015/02/21 23:16
by T. Ozaki
Patch 3.7.9 to OpenMX Ver. 3.7T. Ozaki217742015/02/21 22:50
by marcindulak
atomic structure for NEGFDarek520582015/02/20 19:31
by Darek
Small problem in bandgnu13 fileSeungjin115402015/02/20 16:57
by T. Ozaki
installation problemMosahhar117882015/02/20 13:18
by T. Ozaki
OpenMX consumes memory and diesArtem Pulkin117122015/02/20 13:15
by T. Ozaki
Compile Error!masoud1285422015/02/19 00:05
by Masoud

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