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From AdministratorTaisuke Ozaki055692005/01/09 05:33
by Taisuke Ozaki
orbital contributions of exchange coupling parametersBin Shao032019/06/26 15:00
by Bin Shao
Elastic Constant of Cu - 6.0Hs3p3d3C. Pashartis2492019/06/21 20:14
by C. Pashartis
NEB output fileReza0182019/06/21 15:49
by Reza
The problem difference charge density Alisa4382019/06/17 14:41
by Naoya Yamaguchi
Re: Installation of openmx in ubuntudeniz4372019/06/16 02:52
by Naoya Yamaguchi
Error in installationM.S34212019/06/15 06:44
by deniz
Hamiltonian matrix fileMaedeh52172019/06/08 05:12
by Maedeh
Questions about functionalsAleksey0462019/06/06 20:57
by Aleksey
Some Suggestions about new versionReza11332019/05/30 05:57
by Po-Hao Chang
Installation of OpenMX in IUAC cluster server Vicky141292019/05/30 02:54
by Naoya Yamaguchi
Cell optimization with Krylov subspace methodPavel Ondračka0422019/05/28 20:18
by Pavel Ondračka
GGA+Ureza0572019/05/23 18:45
by reza
convergence for ESM calculation with on4 in HfO2Z Jiang0592019/05/18 06:40
by Z Jiang
Zeeman term in the OpenMx is not working!Santu Baidya3752019/05/15 11:23
by Santu Baidya
Memory ConsumptionReza3792019/05/03 02:42
by Reza
Vdw-d3(bj) for 'band' calculationNikolai21052019/04/08 15:25
by Nikolai
SCFOUT Error - Hamiltonian incorrectly saved for MD.Type OptJ. Chapman111302019/04/04 01:29
by J. Chapman
The problem of RF constrained optimization with patch 3.8.4 and 3.8.5Alisa41032019/03/27 00:40
by Naoya Yamaguchi
installation errorHaider Abbas51262019/03/15 05:12
by Naoya Yamaguchi
Error occurs when NEB calculation runs with DFT-D3Kunihiro Yananose21442019/03/05 13:57
by Kunihiro Yananose
Graphene Band CalculationsLovleen Kaur53312019/02/09 03:21
by Naoya Yamaguchi
How to apply periodic boundary conditionssanjeev41742019/02/08 23:03
by Kylin
JRCAT 244p and JAIST 2122pJ. Chapman12232019/01/29 19:15
by Naoya Yamaguchi
How to normalize charge density calculated from HOMO-LUMOEike F. Schwier21312019/01/24 14:39
by Eike F. Schwier
NEGF for a thin filmSachin01622018/12/26 23:49
by Sachin
negf optimizationmath01282018/12/26 18:25
by math
Anomalies in bandstructure of NdAlO3Aleksey12042018/12/18 08:46
by Aleksey
Controlling SOC strengthjhong62902018/11/27 15:09
by jhong
The output file is not updatedxuemei01312018/11/26 10:38
by xuemei
The problems of constrained optimization with EFxm42292018/11/20 23:23
by xm
The problem about NEGF calculationWeiqi Li42582018/11/08 17:03
by Weiqi Li
PAO questionWeiqi Li12092018/11/07 18:22
by Weiqi Li
projected direction in pdosMaedeh01712018/10/18 02:20
by Maedeh
transition probability calculation for metal cluster (rare metal)Manabu Inukai21892018/10/17 14:48
by Manabu Inukai
Electric field perpendicular to 2D materialssabike12832018/10/13 00:54
by Po-Hao
convergence of optimizationsabike22672018/10/11 23:07
by sabike
How to calculate charge density and deformation charge density with openmxxm02132018/10/11 09:17
by xm
compilation error: openmx 3.8Renato 114562018/10/11 02:35
by Renato
planar-averaged electrostatic potential Po-Hao155852019/06/22 23:55
by asvape
Transport direction in 2D slab NEGF calculationZHOU Jiaqi02402018/09/28 14:59
by ZHOU Jiaqi
transport direction for thin filmPrashant44732018/09/14 12:57
by Prashant
Vacancy study with OpenMxSamuel Dechamps12692018/09/13 13:00
by Naoya Yamaguchi
Patches to apply to build OpenMX with clangYuri02262018/09/11 11:19
by Yuri
NEGF vs Surface Green's function calculationEike F. Schwier02642018/09/06 12:44
by Eike F. Schwier
A question on vdW parameter ‘DFTD.IntDirection'ZHOU Jiaqi12152018/08/30 22:16
by T. Ozaki
errors in Indium PAO file?Tomonori Tanaka22852018/08/15 07:27
by Tomonori Tanaka
OpenMX Exchange coupling parameter: J per each orbitalJ.S.Feng24262018/08/14 12:02
by Hongkee Yoon
NEGF with gate voltage for molecular junctionsDongzhe Li13042018/08/07 17:33
by T. Ozaki
Fermi level dependence on basis setDechamps Samuel33242018/08/07 17:18
by T. Ozaki

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