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Topics Author Replies Views Last Modified
NEGF for a thin filmSachin02972018/12/26 23:49
by Sachin
negf optimizationmath02432018/12/26 18:25
by math
Anomalies in bandstructure of NdAlO3Aleksey13282018/12/18 08:46
by Aleksey
Controlling SOC strengthjhong65292018/11/27 15:09
by jhong
The output file is not updatedxuemei02312018/11/26 10:38
by xuemei
The problems of constrained optimization with EFxm43902018/11/20 23:23
by xm
The problem about NEGF calculationWeiqi Li44062018/11/08 17:03
by Weiqi Li
PAO questionWeiqi Li13392018/11/07 18:22
by Weiqi Li
projected direction in pdosMaedeh02692018/10/18 02:20
by Maedeh
transition probability calculation for metal cluster (rare metal)Manabu Inukai23142018/10/17 14:48
by Manabu Inukai
Electric field perpendicular to 2D materialssabike14492018/10/13 00:54
by Po-Hao
convergence of optimizationsabike24632018/10/11 23:07
by sabike
How to calculate charge density and deformation charge density with openmxxm03782018/10/11 09:17
by xm
compilation error: openmx 3.8Renato 119592018/10/11 02:35
by Renato
planar-averaged electrostatic potential Po-Hao512742018/10/09 12:00
by Naoya Yamaguchi
Transport direction in 2D slab NEGF calculationZHOU Jiaqi03972018/09/28 14:59
by ZHOU Jiaqi
transport direction for thin filmPrashant45952018/09/14 12:57
by Prashant
Vacancy study with OpenMxSamuel Dechamps13842018/09/13 13:00
by Naoya Yamaguchi
Patches to apply to build OpenMX with clangYuri03432018/09/11 11:19
by Yuri
NEGF vs Surface Green's function calculationEike F. Schwier04082018/09/06 12:44
by Eike F. Schwier
A question on vdW parameter ‘DFTD.IntDirection'ZHOU Jiaqi13152018/08/30 22:16
by T. Ozaki
errors in Indium PAO file?Tomonori Tanaka23992018/08/15 07:27
by Tomonori Tanaka
OpenMX Exchange coupling parameter: J per each orbitalJ.S.Feng27112018/08/14 12:02
by Hongkee Yoon
NEGF with gate voltage for molecular junctionsDongzhe Li14262018/08/07 17:33
by T. Ozaki
Fermi level dependence on basis setDechamps Samuel34812018/08/07 17:18
by T. Ozaki
work function with ESM modeljiang55392018/08/03 04:14
by jiang
Different total energy: X and Z periodicity tested with 1D carbon-chainDongzhe Li23492018/07/20 14:20
by Dongzhe Li
ERROR key=MD.Type The number of threads in each node for OpenMP parallelization is 1hashem.sina23752018/07/20 11:26
by Mitsuaki Kawamura
ERROR: PAOs of lead atoms can overlap only to the next nearest region.M.Sh24332018/07/20 08:10
by M.Sh
input files for periodic system under zero biasFrank34662018/07/15 12:00
by Frank
Unit in the exchange coupling calculationPui-Wai Ma13712018/07/11 05:28
by Pui-Wai Ma
convergence for ESM calculation with on2+EFjiang44942018/06/27 06:24
by jiang
error in make allsara.shafaei14722018/06/20 01:26
by Naoya Yamaguchi
calculations of Z2 and Chern numberWenliang Liu15052018/06/16 12:03
by T. Ozaki
Geometry optimization of metal slab yields nan forcesDechamps Samuel96032018/06/12 23:39
by Dechamps Samuel
How to solve this problem:APPLICATION TERMINATED WITH THE EXIT STRING: Killed (signal 9)xmzhang119292018/06/12 10:12
by T. Ozaki
Patch 3.8.5 to OpenMX Ver. 3.8T. Ozaki04622018/06/12 10:05
by T. Ozaki
a bad relaxed structure from the RFC5 geometry optimizaitonJack24002018/06/05 09:18
by Jack
Work Function of grapheneRenato24502018/05/26 00:02
by Renato
How to plot Vhart in a given direction.Carlos24362018/05/23 03:16
by Carlos
Step3 of Transport Calculation is not successfulMobin55262018/05/22 02:04
by Naoya Yamaguchi
Can it be calculated across a node? That is, cluster testing xuanlv02952018/05/10 10:17
by xuanlv
Running the example of Cr2_CNC.dat program is reporting errorslucky65752018/05/09 20:46
by lucky
phononic spectraRiemann04032018/05/08 16:29
by Riemann
How to determine the Euler angle in Atoms.SpeciesAndCoordinateslucky75452018/05/05 18:02
by lucky
Absolute eigenvalue's index in conjunction with Absolute eigenvalue and Chemical PotentialRiemann13622018/05/02 00:59
by Naoya Yamaguchi
add_gcube.cRiemann53972018/05/01 16:48
by Riemann
num.LUMORiemann63852018/05/01 16:43
by Riemann
TranMain and cluster calculationslz04712018/04/27 14:11
by lz
Hardware configuration requirements for the serverxuanlv 03172018/04/27 11:24
by xuanlv

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