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Topics Author Replies Views Last Modified
openmx3.7 installation errorHaider Abbas519442015/11/22 00:08
by Barati
executing error, band dispersion problemBarati67862015/11/14 19:17
by Barati
studentYi Wang37132015/11/14 16:05
by Yi Wang
parallel running errorduan235262015/11/08 18:38
by marcindulak
openmx-3.7.10 incompatible with elpa-2015.02.002marcindulak07602015/11/07 22:03
by marcindulak
magnetic property of zigzag MoS2 nanoribbonWill 79082015/11/07 00:35
by Artem Pulkin
Semi-local PPNikolai06472015/11/05 20:23
by Nikolai
Sign of force difference between *.out and *.mdsung mo Kang07322015/11/05 15:00
by sung mo Kang
Is an output wave function Bloch?M. Yamada39152015/10/18 00:35
by M. Yamada
NEGF convergenceArtem Pulkin07932015/10/02 18:28
by Artem Pulkin
View details for molecular dynamicsVasiliy St06302015/09/28 15:19
by Vasiliy St
Difficult to get converge in spin polarized NEGF calculationPang07812015/09/17 01:54
by Pang
Crystal Relaxation under PressureKhalid07892015/08/23 00:06
by Khalid
Keep getting errors for NEGF calculation - Leads setting and warning of energy stepsKuan Zhou210792015/08/21 15:57
by Qurat
Any way to specify the energy range of LCAO coefficient output?Seungjin Kang17822015/08/14 18:38
by Artem Pulkin
number of bands and number of k-pointskhalid28602015/08/08 23:36
by Khalid
NEGF in GrapheneKhalid210332015/08/08 23:34
by Khalid
LCAO coefficientsEike F. Schwier648252015/08/07 12:41
by T. Ozaki
Order N methods for NEGF calculationKZ18352015/08/06 11:28
by T. Ozaki
Problem with NEB restart and with specifying pathMauro Sgroi19062015/08/06 10:40
by T. Ozaki
Keep getting Segmentation fault for large NEGF calculationsKZ18132015/08/06 10:36
by T. Ozaki
Molecular dynamics for charged paricles of ionic electrolytesA. Chow121052015/08/06 10:28
by T. Ozaki
Geometry optimization using Krylov subspace methodLK17642015/08/06 10:18
by T. Ozaki
Bulk transport systemKhalid440392015/07/07 02:51
by Khalid
Some questions about transportkhalid210242015/06/24 17:05
by khalid
O(N) Calculations for Cases with Spin Orbit CouplingKZ525712015/06/24 10:33
by KZ
*.sden.cubeRiemann28432015/06/16 17:06
by Riemann
Regarding error in results of NEGF calculationKZ410742015/06/14 13:32
by KZ
TranMainboshra120642015/06/13 19:06
by Riemann
Diagonal terms in overlap matrix not equalled to 1KZ1010742015/06/12 19:15
by Artem Pulkin
PAV in Openmx?Giovanni110072015/06/09 23:32
by Artem Pulkin
How to generate a mixed pseudopotentialPR341652015/06/09 17:32
by T. Ozaki
Unfolding band structureEike F. Schwier212272015/06/09 12:05
by Eike F. Schwier
Charge density in .dden.cubeArtem Pulkin17912015/06/08 15:04
by T. Ozaki
Possible bug in restart file readingAaron Thong17182015/06/04 18:11
by T. Ozaki
Electrostatic PotentialGiovanni27642015/05/26 21:33
by Giovanni
problem of instalationyouna29862015/05/24 06:36
by youna
Exchange parameterRakesh Kar08412015/04/29 21:37
by Rakesh Kar
Band Dispersion ProblemKhalid Ibne Masood38542015/04/25 22:45
by PR
Question about PAO cut radii and size of unit cells in NEGF calculation kzhoulatte1016842015/04/14 04:31
by kzhoulatte
restart file error on EvsLC calculation.Seungjin210752015/04/08 21:29
by Seungjin
Confusion about the index in HS.fileout Hamiltoniankzhoulatte79582015/04/08 05:26
by kzhoulatte
orbital coefficientZT38402015/04/07 09:28
by T. Ozaki
-Dnosse option and Krylov Lee, Sungjin27722015/04/06 20:22
by Lee, Sungjin
real space hopping integralRiemann19922015/04/06 18:39
by T. Ozaki
Exracting Tight binding parameters from MLWF calculationRiemann039492015/04/05 03:57
by Riemann
scf convergence issues in NEGF calculationsAaron Thong614062015/03/31 21:48
by Artem Pulkin
how to fix Unit cell angleJai Prakash18222015/03/31 21:11
by Aaron Thong
Notes on Compilation of OpenMXT. Ozaki08662015/03/31 11:49
by T. Ozaki
For the K points setting using Monkhorst-Pack method, can I force the k points to include Gamma?Kuan Zhou352412015/03/30 17:47
by Artem Pulkin

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