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Topics Author Replies Views Last Modified
Electric field perpendicular to 2D materialssabike13312018/10/13 00:54
by Po-Hao
convergence of optimizationsabike23192018/10/11 23:07
by sabike
How to calculate charge density and deformation charge density with openmxxm02562018/10/11 09:17
by xm
compilation error: openmx 3.8Renato 115692018/10/11 02:35
by Renato
planar-averaged electrostatic potential Po-Hao157642019/06/22 23:55
by asvape
Transport direction in 2D slab NEGF calculationZHOU Jiaqi02782018/09/28 14:59
by ZHOU Jiaqi
transport direction for thin filmPrashant45032018/09/14 12:57
by Prashant
Vacancy study with OpenMxSamuel Dechamps13062018/09/13 13:00
by Naoya Yamaguchi
Patches to apply to build OpenMX with clangYuri02572018/09/11 11:19
by Yuri
NEGF vs Surface Green's function calculationEike F. Schwier03012018/09/06 12:44
by Eike F. Schwier
A question on vdW parameter ‘DFTD.IntDirection'ZHOU Jiaqi12472018/08/30 22:16
by T. Ozaki
errors in Indium PAO file?Tomonori Tanaka23152018/08/15 07:27
by Tomonori Tanaka
OpenMX Exchange coupling parameter: J per each orbitalJ.S.Feng24932018/08/14 12:02
by Hongkee Yoon
NEGF with gate voltage for molecular junctionsDongzhe Li13342018/08/07 17:33
by T. Ozaki
Fermi level dependence on basis setDechamps Samuel33642018/08/07 17:18
by T. Ozaki
work function with ESM modeljiang54112018/08/03 04:14
by jiang
Different total energy: X and Z periodicity tested with 1D carbon-chainDongzhe Li22752018/07/20 14:20
by Dongzhe Li
ERROR key=MD.Type The number of threads in each node for OpenMP parallelization is 1hashem.sina22822018/07/20 11:26
by Mitsuaki Kawamura
ERROR: PAOs of lead atoms can overlap only to the next nearest region.M.Sh23002018/07/20 08:10
by M.Sh
input files for periodic system under zero biasFrank33672018/07/15 12:00
by Frank
Unit in the exchange coupling calculationPui-Wai Ma12772018/07/11 05:28
by Pui-Wai Ma
convergence for ESM calculation with on2+EFjiang43732018/06/27 06:24
by jiang
error in make allsara.shafaei13422018/06/20 01:26
by Naoya Yamaguchi
calculations of Z2 and Chern numberWenliang Liu14082018/06/16 12:03
by T. Ozaki
Geometry optimization of metal slab yields nan forcesDechamps Samuel94602018/06/12 23:39
by Dechamps Samuel
How to solve this problem:APPLICATION TERMINATED WITH THE EXIT STRING: Killed (signal 9)xmzhang112102018/06/12 10:12
by T. Ozaki
Patch 3.8.5 to OpenMX Ver. 3.8T. Ozaki03782018/06/12 10:05
by T. Ozaki
a bad relaxed structure from the RFC5 geometry optimizaitonJack23082018/06/05 09:18
by Jack
Work Function of grapheneRenato23722018/05/26 00:02
by Renato
How to plot Vhart in a given direction.Carlos23242018/05/23 03:16
by Carlos
Step3 of Transport Calculation is not successfulMobin53852018/05/22 02:04
by Naoya Yamaguchi
Can it be calculated across a node? That is, cluster testing xuanlv02332018/05/10 10:17
by xuanlv
Running the example of Cr2_CNC.dat program is reporting errorslucky64042018/05/09 20:46
by lucky
phononic spectraRiemann03272018/05/08 16:29
by Riemann
How to determine the Euler angle in Atoms.SpeciesAndCoordinateslucky73842018/05/05 18:02
by lucky
Absolute eigenvalue's index in conjunction with Absolute eigenvalue and Chemical PotentialRiemann12842018/05/02 00:59
by Naoya Yamaguchi
add_gcube.cRiemann53142018/05/01 16:48
by Riemann
num.LUMORiemann62992018/05/01 16:43
by Riemann
TranMain and cluster calculationslz03852018/04/27 14:11
by lz
Hardware configuration requirements for the serverxuanlv 02322018/04/27 11:24
by xuanlv
scf convergence problem in GaFeO3reza02922018/04/23 01:33
by reza
Convergence problem in magnetic slab calculationEike F. Schwier57732018/04/22 22:34
by reza
Spin-orbit interaction and electron structure in NCDFTDaniil107242018/04/19 04:02
by Daniil
SCF Convergence Error for Antiferromagnetic Nd2CuO4Reza03432018/04/06 00:07
by Reza
Using adpack to include core-level Eike F. Schwier24202018/04/05 07:35
by Eike F. Schwier
NPA calculation errorReza14402018/04/04 14:16
by Reza
Patch 3.8.4Reza02862018/04/03 02:32
by Reza
QTAIM in OPENMXReza03262018/04/03 00:35
by Reza
Convergence and time-consuming issues of large-scale calculationsxmzhang23052018/04/02 15:50
by xmzhang
oxygen atom's optimized PAO similar to 6-31++G** of GTO codesReza63792018/04/02 08:37
by T. Ozaki

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