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Topics Author Replies Views Last Modified
Elastic Constant of Cu - 6.0Hs3p3d3C. Pashartis28682019/06/21 20:14
by C. Pashartis
NEB output fileReza06532019/06/21 15:49
by Reza
Error in installationM.S323702019/06/15 06:44
by deniz
Hamiltonian matrix fileMaedeh513032019/06/08 05:12
by Maedeh
Questions about functionalsAleksey08722019/06/06 20:57
by Aleksey
Some Suggestions about new versionReza19732019/05/30 05:57
by Po-Hao Chang
Installation of OpenMX in IUAC cluster server Vicky1410812019/05/30 02:54
by Naoya Yamaguchi
Cell optimization with Krylov subspace methodPavel Ondračka07262019/05/28 20:18
by Pavel Ondračka
GGA+Ureza08122019/05/23 18:45
by reza
convergence for ESM calculation with on4 in HfO2Z Jiang08012019/05/18 06:40
by Z Jiang
Zeeman term in the OpenMx is not working!Santu Baidya38452019/05/15 11:23
by Santu Baidya
Memory ConsumptionReza37492019/05/03 02:42
by Reza
SCFOUT Error - Hamiltonian incorrectly saved for MD.Type OptJ. Chapman1111052019/04/04 01:29
by J. Chapman
The problem of RF constrained optimization with patch 3.8.4 and 3.8.5Alisa48882019/03/27 00:40
by Naoya Yamaguchi
installation errorHaider Abbas510612019/03/15 05:12
by Naoya Yamaguchi
Error occurs when NEB calculation runs with DFT-D3Kunihiro Yananose29052019/03/05 13:57
by Kunihiro Yananose
Graphene Band CalculationsLovleen Kaur520312019/02/09 03:21
by Naoya Yamaguchi
How to apply periodic boundary conditionssanjeev412822019/02/08 23:03
by Kylin
JRCAT 244p and JAIST 2122pJ. Chapman19142019/01/29 19:15
by Naoya Yamaguchi
NEGF for a thin filmSachin08492018/12/26 23:49
by Sachin
negf optimizationmath07252018/12/26 18:25
by math
Anomalies in bandstructure of NdAlO3Aleksey19172018/12/18 08:46
by Aleksey
Controlling SOC strengthjhong615702018/11/27 15:09
by jhong
The output file is not updatedxuemei07222018/11/26 10:38
by xuemei
The problems of constrained optimization with EFxm49912018/11/20 23:23
by xm
The problem about NEGF calculationWeiqi Li410602018/11/08 17:03
by Weiqi Li
PAO questionWeiqi Li19092018/11/07 18:22
by Weiqi Li
projected direction in pdosMaedeh07802018/10/18 02:20
by Maedeh
transition probability calculation for metal cluster (rare metal)Manabu Inukai28612018/10/17 14:48
by Manabu Inukai
Electric field perpendicular to 2D materialssabike111152018/10/13 00:54
by Po-Hao
convergence of optimizationsabike212382018/10/11 23:07
by sabike
How to calculate charge density and deformation charge density with openmxxm09732018/10/11 09:17
by xm
compilation error: openmx 3.8Renato 1139372018/10/11 02:35
by Renato
planar-averaged electrostatic potential Po-Hao545182018/10/09 12:00
by Naoya Yamaguchi
Transport direction in 2D slab NEGF calculationZHOU Jiaqi010462018/09/28 14:59
by ZHOU Jiaqi
transport direction for thin filmPrashant411922018/09/14 12:57
by Prashant
Vacancy study with OpenMxSamuel Dechamps19322018/09/13 13:00
by Naoya Yamaguchi
Patches to apply to build OpenMX with clangYuri09022018/09/11 11:19
by Yuri
NEGF vs Surface Green's function calculationEike F. Schwier010052018/09/06 12:44
by Eike F. Schwier
A question on vdW parameter ‘DFTD.IntDirection'ZHOU Jiaqi19102018/08/30 22:16
by T. Ozaki
errors in Indium PAO file?Tomonori Tanaka29052018/08/15 07:27
by Tomonori Tanaka
OpenMX Exchange coupling parameter: J per each orbitalJ.S.Feng214442018/08/14 12:02
by Hongkee Yoon
NEGF with gate voltage for molecular junctionsDongzhe Li110312018/08/07 17:33
by T. Ozaki
Fermi level dependence on basis setDechamps Samuel311272018/08/07 17:18
by T. Ozaki
work function with ESM modeljiang513782018/08/03 04:14
by jiang
Different total energy: X and Z periodicity tested with 1D carbon-chainDongzhe Li28672018/07/20 14:20
by Dongzhe Li
ERROR key=MD.Type The number of threads in each node for OpenMP parallelization is 1hashem.sina224142018/07/20 11:26
by Mitsuaki Kawamura
ERROR: PAOs of lead atoms can overlap only to the next nearest region.M.Sh211252018/07/20 08:10
by M.Sh
input files for periodic system under zero biasFrank310952018/07/15 12:00
by Frank
Unit in the exchange coupling calculationPui-Wai Ma19292018/07/11 05:28
by Pui-Wai Ma

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