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Topics Author Replies Views Last Modified
The problem of RF constrained optimization with patch 3.8.4 and 3.8.5Alisa45792019/03/27 00:40
by Naoya Yamaguchi
installation errorHaider Abbas57192019/03/15 05:12
by Naoya Yamaguchi
Error occurs when NEB calculation runs with DFT-D3Kunihiro Yananose25402019/03/05 13:57
by Kunihiro Yananose
Graphene Band CalculationsLovleen Kaur514772019/02/09 03:21
by Naoya Yamaguchi
How to apply periodic boundary conditionssanjeev48832019/02/08 23:03
by Kylin
JRCAT 244p and JAIST 2122pJ. Chapman15862019/01/29 19:15
by Naoya Yamaguchi
NEGF for a thin filmSachin05712018/12/26 23:49
by Sachin
negf optimizationmath04632018/12/26 18:25
by math
Anomalies in bandstructure of NdAlO3Aleksey16332018/12/18 08:46
by Aleksey
Controlling SOC strengthjhong610382018/11/27 15:09
by jhong
The output file is not updatedxuemei04312018/11/26 10:38
by xuemei
The problems of constrained optimization with EFxm46962018/11/20 23:23
by xm
The problem about NEGF calculationWeiqi Li47332018/11/08 17:03
by Weiqi Li
PAO questionWeiqi Li16212018/11/07 18:22
by Weiqi Li
projected direction in pdosMaedeh04892018/10/18 02:20
by Maedeh
transition probability calculation for metal cluster (rare metal)Manabu Inukai26042018/10/17 14:48
by Manabu Inukai
Electric field perpendicular to 2D materialssabike17792018/10/13 00:54
by Po-Hao
convergence of optimizationsabike28872018/10/11 23:07
by sabike
How to calculate charge density and deformation charge density with openmxxm06582018/10/11 09:17
by xm
compilation error: openmx 3.8Renato 1121502018/10/11 02:35
by Renato
planar-averaged electrostatic potential Po-Hao530612018/10/09 12:00
by Naoya Yamaguchi
Transport direction in 2D slab NEGF calculationZHOU Jiaqi07282018/09/28 14:59
by ZHOU Jiaqi
transport direction for thin filmPrashant48862018/09/14 12:57
by Prashant
Vacancy study with OpenMxSamuel Dechamps16192018/09/13 13:00
by Naoya Yamaguchi
Patches to apply to build OpenMX with clangYuri06282018/09/11 11:19
by Yuri
NEGF vs Surface Green's function calculationEike F. Schwier07172018/09/06 12:44
by Eike F. Schwier
A question on vdW parameter ‘DFTD.IntDirection'ZHOU Jiaqi15842018/08/30 22:16
by T. Ozaki
errors in Indium PAO file?Tomonori Tanaka26272018/08/15 07:27
by Tomonori Tanaka
OpenMX Exchange coupling parameter: J per each orbitalJ.S.Feng210952018/08/14 12:02
by Hongkee Yoon
NEGF with gate voltage for molecular junctionsDongzhe Li17192018/08/07 17:33
by T. Ozaki
Fermi level dependence on basis setDechamps Samuel38182018/08/07 17:18
by T. Ozaki
work function with ESM modeljiang59332018/08/03 04:14
by jiang
Different total energy: X and Z periodicity tested with 1D carbon-chainDongzhe Li25952018/07/20 14:20
by Dongzhe Li
ERROR key=MD.Type The number of threads in each node for OpenMP parallelization is 1hashem.sina215532018/07/20 11:26
by Mitsuaki Kawamura
ERROR: PAOs of lead atoms can overlap only to the next nearest region.M.Sh27442018/07/20 08:10
by M.Sh
input files for periodic system under zero biasFrank37462018/07/15 12:00
by Frank
Unit in the exchange coupling calculationPui-Wai Ma16592018/07/11 05:28
by Pui-Wai Ma
convergence for ESM calculation with on2+EFjiang47812018/06/27 06:24
by jiang
error in make allsara.shafaei111242018/06/20 01:26
by Naoya Yamaguchi
calculations of Z2 and Chern numberWenliang Liu17792018/06/16 12:03
by T. Ozaki
Geometry optimization of metal slab yields nan forcesDechamps Samuel99512018/06/12 23:39
by Dechamps Samuel
How to solve this problem:APPLICATION TERMINATED WITH THE EXIT STRING: Killed (signal 9)xmzhang139512018/06/12 10:12
by T. Ozaki
Patch 3.8.5 to OpenMX Ver. 3.8T. Ozaki06612018/06/12 10:05
by T. Ozaki
a bad relaxed structure from the RFC5 geometry optimizaitonJack27122018/06/05 09:18
by Jack
Work Function of grapheneRenato27102018/05/26 00:02
by Renato
How to plot Vhart in a given direction.Carlos27402018/05/23 03:16
by Carlos
Step3 of Transport Calculation is not successfulMobin58982018/05/22 02:04
by Naoya Yamaguchi
Can it be calculated across a node? That is, cluster testing xuanlv05432018/05/10 10:17
by xuanlv
Running the example of Cr2_CNC.dat program is reporting errorslucky69832018/05/09 20:46
by lucky
phononic spectraRiemann06472018/05/08 16:29
by Riemann

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