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From AdministratorTaisuke Ozaki056702005/01/09 05:33
by Taisuke Ozaki
Higher Bond length of Arsenous acidLovleen Kaur11132019/11/10 20:55
by Jhon W. Gonzalez
Re: Installation of openmx in ubuntudeniz61772019/10/25 11:06
by Naoya Yamaguchi
How to obtain the initial charge?Liu Jie0292019/10/21 15:58
by Liu Jie
SOLVED Bug on JX with Energy.Decomposition ONJhon W. Gonzalez2702019/10/20 11:04
by Jhon W. Gonzalez
(Maybe) fixing Vdw-d3(bj)Jhon W. Gonzalez31102019/10/16 13:41
by T. Ozaki
A sharing package for new version (2019) of PAO and VPSKylin0712019/10/06 09:25
by Kylin
pseudopotentials for ionsM Chen0572019/09/25 11:41
by M Chen
stress calculationHoi11062019/09/21 11:35
by T. Ozaki
DFT+SOC --- bandgnu13 generates only BANDDAT1 file.Maedeh41192019/09/20 23:42
by Maedeh
nan error in optimization of Fe doped Arm chair graphene nano ribbonLovleen Kaur1972019/09/19 11:02
by Jhon W. Gonzalez
Nose-Hoover heat bath massPavel Ondracka1892019/09/16 12:49
by Naoya Yamaguchi
Compiling Jx executable in ubuntuAltan41202019/09/09 17:17
by Altan
orbital contributions of exchange coupling parametersBin Shao21762019/09/04 11:28
by Hongkee Yoon
Solvent modelLovleen Kaur0672019/09/02 18:22
by Lovleen Kaur
NEGF calculations converge to unphysical results when 2 leads are differentMaxim Visotin11142019/09/02 16:08
by Maxim Visotin
Understanding exchange coupling parameter calculationJhon W. Gonzalez0902019/08/30 07:26
by Jhon W. Gonzalez
optimization lattice constants of charged single layer 2d metallic materialsBin Shao0942019/08/27 14:03
by Bin Shao
Vdw-d3(bj) for 'band' calculationNikolai32332019/08/25 05:51
by Jhon W. Gonzalez
Mismatch DOS with conductance profile Devanand2832019/08/23 15:50
by Naoya Yamaguchi
How can we get the I-V curves with openmxRyoehi Nishioka21252019/08/22 16:17
by Ryoehi Nishioka
How to normalize charge density calculated from HOMO-LUMOEike F. Schwier73232019/08/21 20:07
by Eike F. Schwier
Very high noise and stoping calculationDouglas0672019/08/16 21:51
by Douglas
convergence problem (the last thread can not display correctly)Bin Shao31222019/08/07 14:22
by Naoya Yamaguchi
convergence problemBin Shao0812019/07/25 17:09
by Bin Shao
inconsistent magnetic solutions of bcc FeBin Shao21022019/07/24 17:51
by Bin Shao
NEB OptimizationReza1962019/07/23 17:31
by Naoya Yamaguchi
Questions about the magnetic moment in NEGF calculationsH Y ZHOU01062019/07/17 21:46
by H Y ZHOU
Negative charge on Al in Al-doped AGNRLovleen Kaur11212019/07/14 02:31
by Yung-Ting Lee
NEB QuestionReza01052019/07/05 00:31
by Reza
charge density Alisa21442019/07/03 16:58
by Yung-Ting
The problem difference charge density Alisa61672019/06/28 10:40
by Alisa
Elastic Constant of Cu - 6.0Hs3p3d3C. Pashartis21502019/06/21 20:14
by C. Pashartis
NEB output fileReza01012019/06/21 15:49
by Reza
Error in installationM.S35972019/06/15 06:44
by deniz
Hamiltonian matrix fileMaedeh53272019/06/08 05:12
by Maedeh
Questions about functionalsAleksey01402019/06/06 20:57
by Aleksey
Some Suggestions about new versionReza12362019/05/30 05:57
by Po-Hao Chang
Installation of OpenMX in IUAC cluster server Vicky142282019/05/30 02:54
by Naoya Yamaguchi
Cell optimization with Krylov subspace methodPavel Ondračka01162019/05/28 20:18
by Pavel Ondračka
GGA+Ureza01452019/05/23 18:45
by reza
convergence for ESM calculation with on4 in HfO2Z Jiang01352019/05/18 06:40
by Z Jiang
Zeeman term in the OpenMx is not working!Santu Baidya31692019/05/15 11:23
by Santu Baidya
Memory ConsumptionReza31652019/05/03 02:42
by Reza
SCFOUT Error - Hamiltonian incorrectly saved for MD.Type OptJ. Chapman112292019/04/04 01:29
by J. Chapman
The problem of RF constrained optimization with patch 3.8.4 and 3.8.5Alisa41912019/03/27 00:40
by Naoya Yamaguchi
installation errorHaider Abbas52232019/03/15 05:12
by Naoya Yamaguchi
Error occurs when NEB calculation runs with DFT-D3Kunihiro Yananose22342019/03/05 13:57
by Kunihiro Yananose
Graphene Band CalculationsLovleen Kaur54982019/02/09 03:21
by Naoya Yamaguchi
How to apply periodic boundary conditionssanjeev42952019/02/08 23:03
by Kylin

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