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Topics Author Replies Views Last Modified
Problem with jx in ver 3.9.1Zsolt511832020/01/17 11:29
by Asako Terasawa
Bad convergence for calculations with an electric field Chen19342020/01/16 13:35
by Po-Hao
NEGF zgetrf failed errormasood08632020/01/14 03:56
by masood
Error in installing openmx with intel mpi compiler and mkl Chen519312020/01/13 18:07
by Chen
NEGF Convergence problemVikash411692020/01/09 18:53
by Vikash
The convergence of RFC5Alisa19682020/01/02 15:51
by T. Ozaki
Patch 3.9.1 to OpenMX Ver. 3.9T. Ozaki09132020/01/02 15:40
by T. Ozaki
formate of seed_name.AtomMulP genrated by kSpinUmar farooq1113972019/12/31 11:57
by Naoya Yamaguchi
NEGF calculation of OpenMX Ver 3.9Xingqiang SHI211222019/12/30 16:39
by Xingqiang SHI
Forces of same structure gotten from openmx are a lot different from that from vaspZuzhang Lin213332019/12/25 01:27
by Zuzhang Lin
Question about '.md2' file.Liu Jie49532019/12/23 15:30
by Liu Jie
Higher Bond length of Arsenous acidLovleen Kaur212752019/12/18 18:20
by T. Ozaki
which paramiter can control the maximum step?Liu Jie1011092019/12/18 12:01
by Liu Jie
pseudopotentials for ionsM Chen213332019/12/17 16:35
by Chen
How to obtain the initial charge?Liu Jie19822019/12/16 23:19
by T. Ozaki
Error when Installing 3.9 version kmaz110762019/12/11 22:53
by Mitsuaki Kawamura
Release of OpenMX Ver 3.9T. Ozaki211652019/12/11 21:33
by T. Ozaki
NEGF calculations converge to unphysical results when 2 leads are differentMaxim Visotin314372019/11/25 22:02
by Artem Pulkin
compiler error for Intel Compilers and MKL Libraryzhiying guo19702019/11/23 14:56
by Naoya Yamaguchi
Re: Installation of openmx in ubuntudeniz625952019/10/25 11:06
by Naoya Yamaguchi
SOLVED Bug on JX with Energy.Decomposition ONJhon W. Gonzalez211402019/10/20 11:04
by Jhon W. Gonzalez
(Maybe) fixing Vdw-d3(bj)Jhon W. Gonzalez322462019/10/16 13:41
by T. Ozaki
A sharing package for new version (2019) of PAO and VPSKylin011872019/10/06 09:25
by Kylin
stress calculationHoi111082019/09/21 11:35
by T. Ozaki
DFT+SOC --- bandgnu13 generates only BANDDAT1 file.Maedeh415152019/09/20 23:42
by Maedeh
nan error in optimization of Fe doped Arm chair graphene nano ribbonLovleen Kaur110832019/09/19 11:02
by Jhon W. Gonzalez
Nose-Hoover heat bath massPavel Ondracka115542019/09/16 12:49
by Naoya Yamaguchi
Compiling Jx executable in ubuntuAltan413172019/09/09 17:17
by Altan
orbital contributions of exchange coupling parametersBin Shao213472019/09/04 11:28
by Hongkee Yoon
Solvent modelLovleen Kaur09772019/09/02 18:22
by Lovleen Kaur
Understanding exchange coupling parameter calculationJhon W. Gonzalez011222019/08/30 07:26
by Jhon W. Gonzalez
optimization lattice constants of charged single layer 2d metallic materialsBin Shao010492019/08/27 14:03
by Bin Shao
Vdw-d3(bj) for 'band' calculationNikolai312182019/08/25 05:51
by Jhon W. Gonzalez
Mismatch DOS with conductance profile Devanand29652019/08/23 15:50
by Naoya Yamaguchi
How can we get the I-V curves with openmxRyoehi Nishioka212752019/08/22 16:17
by Ryoehi Nishioka
How to normalize charge density calculated from HOMO-LUMOEike F. Schwier718202019/08/21 20:07
by Eike F. Schwier
Very high noise and stoping calculationDouglas09262019/08/16 21:51
by Douglas
convergence problem (the last thread can not display correctly)Bin Shao312462019/08/07 14:22
by Naoya Yamaguchi
convergence problemBin Shao09972019/07/25 17:09
by Bin Shao
inconsistent magnetic solutions of bcc FeBin Shao210592019/07/24 17:51
by Bin Shao
NEB OptimizationReza19942019/07/23 17:31
by Naoya Yamaguchi
Questions about the magnetic moment in NEGF calculationsH Y ZHOU010242019/07/17 21:46
by H Y ZHOU
Negative charge on Al in Al-doped AGNRLovleen Kaur111642019/07/14 02:31
by Yung-Ting Lee
NEB QuestionReza010282019/07/05 00:31
by Reza
charge density Alisa214132019/07/03 16:58
by Yung-Ting
The problem difference charge density Alisa617772019/06/28 10:40
by Alisa
Elastic Constant of Cu - 6.0Hs3p3d3C. Pashartis212432019/06/21 20:14
by C. Pashartis
NEB output fileReza09372019/06/21 15:49
by Reza
Error in installationM.S329732019/06/15 06:44
by deniz
Hamiltonian matrix fileMaedeh520222019/06/08 05:12
by Maedeh

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