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From AdministratorTaisuke Ozaki056972005/01/09 05:33
by Taisuke Ozaki
NEGF Convergence problemVikash042019/12/12 15:17
by Vikash
Error when Installing 3.9 version kmaz1122019/12/11 22:53
by Mitsuaki Kawamura
Release of OpenMX Ver 3.9T. Ozaki2922019/12/11 21:33
by T. Ozaki
LzSz only spin-orbit coupling in collinear spin calculation?Asako Terasawa1402019/11/27 22:37
by T. Ozaki
NEGF calculations converge to unphysical results when 2 leads are differentMaxim Visotin31802019/11/25 22:02
by Artem Pulkin
compiler error for Intel Compilers and MKL Libraryzhiying guo1372019/11/23 14:56
by Naoya Yamaguchi
Higher Bond length of Arsenous acidLovleen Kaur11302019/11/10 20:55
by Jhon W. Gonzalez
Re: Installation of openmx in ubuntudeniz62122019/10/25 11:06
by Naoya Yamaguchi
How to obtain the initial charge?Liu Jie0412019/10/21 15:58
by Liu Jie
SOLVED Bug on JX with Energy.Decomposition ONJhon W. Gonzalez2972019/10/20 11:04
by Jhon W. Gonzalez
(Maybe) fixing Vdw-d3(bj)Jhon W. Gonzalez31262019/10/16 13:41
by T. Ozaki
A sharing package for new version (2019) of PAO and VPSKylin0972019/10/06 09:25
by Kylin
pseudopotentials for ionsM Chen0792019/09/25 11:41
by M Chen
stress calculationHoi11312019/09/21 11:35
by T. Ozaki
DFT+SOC --- bandgnu13 generates only BANDDAT1 file.Maedeh41382019/09/20 23:42
by Maedeh
nan error in optimization of Fe doped Arm chair graphene nano ribbonLovleen Kaur11152019/09/19 11:02
by Jhon W. Gonzalez
Nose-Hoover heat bath massPavel Ondracka11062019/09/16 12:49
by Naoya Yamaguchi
Compiling Jx executable in ubuntuAltan41352019/09/09 17:17
by Altan
orbital contributions of exchange coupling parametersBin Shao21932019/09/04 11:28
by Hongkee Yoon
Solvent modelLovleen Kaur0902019/09/02 18:22
by Lovleen Kaur
Understanding exchange coupling parameter calculationJhon W. Gonzalez01082019/08/30 07:26
by Jhon W. Gonzalez
optimization lattice constants of charged single layer 2d metallic materialsBin Shao01142019/08/27 14:03
by Bin Shao
Vdw-d3(bj) for 'band' calculationNikolai32502019/08/25 05:51
by Jhon W. Gonzalez
Mismatch DOS with conductance profile Devanand2972019/08/23 15:50
by Naoya Yamaguchi
How can we get the I-V curves with openmxRyoehi Nishioka21422019/08/22 16:17
by Ryoehi Nishioka
How to normalize charge density calculated from HOMO-LUMOEike F. Schwier73472019/08/21 20:07
by Eike F. Schwier
Very high noise and stoping calculationDouglas0822019/08/16 21:51
by Douglas
convergence problem (the last thread can not display correctly)Bin Shao31472019/08/07 14:22
by Naoya Yamaguchi
convergence problemBin Shao0992019/07/25 17:09
by Bin Shao
inconsistent magnetic solutions of bcc FeBin Shao21232019/07/24 17:51
by Bin Shao
NEB OptimizationReza11112019/07/23 17:31
by Naoya Yamaguchi
Questions about the magnetic moment in NEGF calculationsH Y ZHOU01242019/07/17 21:46
by H Y ZHOU
Negative charge on Al in Al-doped AGNRLovleen Kaur11332019/07/14 02:31
by Yung-Ting Lee
NEB QuestionReza01192019/07/05 00:31
by Reza
charge density Alisa21572019/07/03 16:58
by Yung-Ting
The problem difference charge density Alisa61842019/06/28 10:40
by Alisa
Elastic Constant of Cu - 6.0Hs3p3d3C. Pashartis21682019/06/21 20:14
by C. Pashartis
NEB output fileReza01162019/06/21 15:49
by Reza
Error in installationM.S36352019/06/15 06:44
by deniz
Hamiltonian matrix fileMaedeh53502019/06/08 05:12
by Maedeh
Questions about functionalsAleksey01602019/06/06 20:57
by Aleksey
Some Suggestions about new versionReza12542019/05/30 05:57
by Po-Hao Chang
Installation of OpenMX in IUAC cluster server Vicky142482019/05/30 02:54
by Naoya Yamaguchi
Cell optimization with Krylov subspace methodPavel Ondračka01292019/05/28 20:18
by Pavel Ondračka
GGA+Ureza01602019/05/23 18:45
by reza
convergence for ESM calculation with on4 in HfO2Z Jiang01512019/05/18 06:40
by Z Jiang
Zeeman term in the OpenMx is not working!Santu Baidya31862019/05/15 11:23
by Santu Baidya
Memory ConsumptionReza31772019/05/03 02:42
by Reza
SCFOUT Error - Hamiltonian incorrectly saved for MD.Type OptJ. Chapman112602019/04/04 01:29
by J. Chapman

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