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From AdministratorTaisuke Ozaki053372005/01/09 05:33
by Taisuke Ozaki
JRCAT 244p and JAIST 2122pJ. Chapman072018/10/18 19:59
by J. Chapman
projected direction in pdosMaedeh052018/10/18 02:20
by Maedeh
transition probability calculation for metal cluster (rare metal)Manabu Inukai292018/10/17 14:48
by Manabu Inukai
Electric field perpendicular to 2D materialssabike1342018/10/13 00:54
by Po-Hao
convergence of optimizationsabike2382018/10/11 23:07
by sabike
How to calculate charge density and deformation charge density with openmxxm0272018/10/11 09:17
by xm
compilation error: openmx 3.8Renato 11772018/10/11 02:35
by Renato
planar-averaged electrostatic potential Po-Hao5622018/10/09 12:00
by Naoya Yamaguchi
Transport direction in 2D slab NEGF calculationZHOU Jiaqi0392018/09/28 14:59
by ZHOU Jiaqi
transport direction for thin filmPrashant42112018/09/14 12:57
by Prashant
Vacancy study with OpenMxSamuel Dechamps1632018/09/13 13:00
by Naoya Yamaguchi
Patches to apply to build OpenMX with clangYuri0422018/09/11 11:19
by Yuri
NEGF vs Surface Green's function calculationEike F. Schwier0632018/09/06 12:44
by Eike F. Schwier
A question on vdW parameter ‘DFTD.IntDirection'ZHOU Jiaqi1622018/08/30 22:16
by T. Ozaki
errors in Indium PAO file?Tomonori Tanaka21282018/08/15 07:27
by Tomonori Tanaka
OpenMX Exchange coupling parameter: J per each orbitalJ.S.Feng21732018/08/14 12:02
by Hongkee Yoon
NEGF with gate voltage for molecular junctionsDongzhe Li11262018/08/07 17:33
by T. Ozaki
Fermi level dependence on basis setDechamps Samuel31402018/08/07 17:18
by T. Ozaki
work function with ESM modeljiang51312018/08/03 04:14
by jiang
Different total energy: X and Z periodicity tested with 1D carbon-chainDongzhe Li21112018/07/20 14:20
by Dongzhe Li
ERROR key=MD.Type The number of threads in each node for OpenMP parallelization is 1hashem.sina21052018/07/20 11:26
by Mitsuaki Kawamura
ERROR: PAOs of lead atoms can overlap only to the next nearest region.M.Sh2962018/07/20 08:10
by M.Sh
input files for periodic system under zero biasFrank31512018/07/15 12:00
by Frank
Unit in the exchange coupling calculationPui-Wai Ma11072018/07/11 05:28
by Pui-Wai Ma
convergence for ESM calculation with on2+EFjiang41532018/06/27 06:24
by jiang
error in make allsara.shafaei11302018/06/20 01:26
by Naoya Yamaguchi
calculations of Z2 and Chern numberWenliang Liu11902018/06/16 12:03
by T. Ozaki
Geometry optimization of metal slab yields nan forcesDechamps Samuel91952018/06/12 23:39
by Dechamps Samuel
How to solve this problem:APPLICATION TERMINATED WITH THE EXIT STRING: Killed (signal 9)xmzhang12582018/06/12 10:12
by T. Ozaki
Patch 3.8.5 to OpenMX Ver. 3.8T. Ozaki01682018/06/12 10:05
by T. Ozaki
a bad relaxed structure from the RFC5 geometry optimizaitonJack21202018/06/05 09:18
by Jack
Work Function of grapheneRenato21722018/05/26 00:02
by Renato
How to plot Vhart in a given direction.Carlos21232018/05/23 03:16
by Carlos
Step3 of Transport Calculation is not successfulMobin51772018/05/22 02:04
by Naoya Yamaguchi
Error in installationM.S21772018/05/21 23:41
by M.S
Can it be calculated across a node? That is, cluster testing xuanlv01002018/05/10 10:17
by xuanlv
Running the example of Cr2_CNC.dat program is reporting errorslucky61682018/05/09 20:46
by lucky
phononic spectraRiemann01592018/05/08 16:29
by Riemann
How to determine the Euler angle in Atoms.SpeciesAndCoordinateslucky71642018/05/05 18:02
by lucky
Absolute eigenvalue's index in conjunction with Absolute eigenvalue and Chemical PotentialRiemann11422018/05/02 00:59
by Naoya Yamaguchi
add_gcube.cRiemann51442018/05/01 16:48
by Riemann
num.LUMORiemann61422018/05/01 16:43
by Riemann
TranMain and cluster calculationslz01482018/04/27 14:11
by lz
Hardware configuration requirements for the serverxuanlv 01142018/04/27 11:24
by xuanlv
scf convergence problem in GaFeO3reza01432018/04/23 01:33
by reza
Convergence problem in magnetic slab calculationEike F. Schwier54082018/04/22 22:34
by reza
Spin-orbit interaction and electron structure in NCDFTDaniil105162018/04/19 04:02
by Daniil
SCF Convergence Error for Antiferromagnetic Nd2CuO4Reza01602018/04/06 00:07
by Reza
Using adpack to include core-level Eike F. Schwier22562018/04/05 07:35
by Eike F. Schwier

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