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Topics Author Replies Views Last Modified
Can OpenMX do geometry and lattice optimization simultaneously?Yang Jin-Hoon 25852015/12/10 21:27
by Yang Jin-Hoon
NEGF and band gapderek15852015/12/09 21:26
by Artem Pulkin
The LEFT lead cannot be superposed on the original cell even after the translation. Check your atomiRichard Overstreet35772015/12/09 21:03
by Artem Pulkin
runtestL ProblemTakeshi Mizuno04412015/12/07 18:24
by Takeshi Mizuno
Berry curvaturezl05102015/12/07 12:55
by zl
Berry curvature and anomalous Hall conductivityL. Zhu04482015/12/06 19:17
by L. Zhu
gnuplot produces no plotBarati14652015/11/29 20:44
by duan
magnetic field calculationhui fu26652015/11/24 20:58
by Eike F. Schwier
mpirun errorBarati05242015/11/23 03:16
by Barati
bandgnu13.c compilation error (2)Barati04142015/11/22 04:12
by Barati
openmx3.7 installation errorHaider Abbas515552015/11/22 00:08
by Barati
executing error, band dispersion problemBarati65502015/11/14 19:17
by Barati
studentYi Wang35442015/11/14 16:05
by Yi Wang
parallel running errorduan232492015/11/08 18:38
by marcindulak
openmx-3.7.10 incompatible with elpa-2015.02.002marcindulak05942015/11/07 22:03
by marcindulak
magnetic property of zigzag MoS2 nanoribbonWill 76602015/11/07 00:35
by Artem Pulkin
Semi-local PPNikolai04602015/11/05 20:23
by Nikolai
Sign of force difference between *.out and *.mdsung mo Kang05122015/11/05 15:00
by sung mo Kang
Is an output wave function Bloch?M. Yamada37102015/10/18 00:35
by M. Yamada
NEGF convergenceArtem Pulkin05892015/10/02 18:28
by Artem Pulkin
View details for molecular dynamicsVasiliy St04492015/09/28 15:19
by Vasiliy St
Difficult to get converge in spin polarized NEGF calculationPang05832015/09/17 01:54
by Pang
Crystal Relaxation under PressureKhalid05702015/08/23 00:06
by Khalid
Keep getting errors for NEGF calculation - Leads setting and warning of energy stepsKuan Zhou28002015/08/21 15:57
by Qurat
Any way to specify the energy range of LCAO coefficient output?Seungjin Kang16282015/08/14 18:38
by Artem Pulkin
number of bands and number of k-pointskhalid26802015/08/08 23:36
by Khalid
NEGF in GrapheneKhalid28482015/08/08 23:34
by Khalid
LCAO coefficientsEike F. Schwier643502015/08/07 12:41
by T. Ozaki
Order N methods for NEGF calculationKZ16402015/08/06 11:28
by T. Ozaki
Problem with NEB restart and with specifying pathMauro Sgroi16612015/08/06 10:40
by T. Ozaki
Keep getting Segmentation fault for large NEGF calculationsKZ16432015/08/06 10:36
by T. Ozaki
Molecular dynamics for charged paricles of ionic electrolytesA. Chow119192015/08/06 10:28
by T. Ozaki
Geometry optimization using Krylov subspace methodLK16102015/08/06 10:18
by T. Ozaki
Bulk transport systemKhalid437792015/07/07 02:51
by Khalid
Some questions about transportkhalid27922015/06/24 17:05
by khalid
O(N) Calculations for Cases with Spin Orbit CouplingKZ521492015/06/24 10:33
by KZ
*.sden.cubeRiemann26592015/06/16 17:06
by Riemann
Regarding error in results of NEGF calculationKZ48422015/06/14 13:32
by KZ
TranMainboshra19892015/06/13 19:06
by Riemann
Diagonal terms in overlap matrix not equalled to 1KZ107672015/06/12 19:15
by Artem Pulkin
PAV in Openmx?Giovanni17442015/06/09 23:32
by Artem Pulkin
How to generate a mixed pseudopotentialPR337622015/06/09 17:32
by T. Ozaki
Unfolding band structureEike F. Schwier210212015/06/09 12:05
by Eike F. Schwier
Charge density in .dden.cubeArtem Pulkin16092015/06/08 15:04
by T. Ozaki
Possible bug in restart file readingAaron Thong15702015/06/04 18:11
by T. Ozaki
Electrostatic PotentialGiovanni25872015/05/26 21:33
by Giovanni
problem of instalationyouna26962015/05/24 06:36
by youna
Exchange parameterRakesh Kar06632015/04/29 21:37
by Rakesh Kar
Band Dispersion ProblemKhalid Ibne Masood36732015/04/25 22:45
by PR
Question about PAO cut radii and size of unit cells in NEGF calculation kzhoulatte1013312015/04/14 04:31
by kzhoulatte

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