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Topics Author Replies Views Last Modified
installation error OpenMX ver 3.9Maedeh8563442020/02/26 13:12
by Naoya Yamaguchi
How to read *.scfout file?Zafer Kandemir210592020/02/22 18:27
by Zafer Kandemir
Difference in the total charge density from ESM on4Alia Mejri17042020/02/22 00:01
by T. Ozaki
Fermi level is not set to zero noopur211882020/02/19 20:23
by T. Ozaki
Zeeman term in the OpenMx3.9 have problemUmar farooq48842020/02/12 19:33
by Umar farooq
Patch 3.9.2 to OpenMX Ver. 3.9T. Ozaki07752020/02/11 22:44
by T. Ozaki
NEGF convergence making loopVikash28142020/02/07 01:02
by T. Ozaki
Mailing list for the OpenMX ForumT. Ozaki07092020/02/06 23:09
by T. Ozaki
NEB simulationYuki Kamikawa27592020/01/30 21:00
by Yuki Kamikawa
NEB memory and parallel problemsReza68282020/01/29 00:41
by T. Ozaki
DosMain issue in metal-graphene heterostructures Samuel Dechamps17422020/01/25 13:51
by T. Ozaki
cygwin_exception::open_stackdumpfile: Dumping stackmasood285572020/01/22 02:05
by masood
core dumped in the exchange coupling calculation (Jx) for Mn12 Po-Hao 29522020/01/20 16:07
by Asako Terasawa
LzSz only spin-orbit coupling in collinear spin calculation?Asako Terasawa710582020/01/19 22:41
by Alireza Baradaran
Error in compiling openmx3.9Xiaoxiong223512020/01/18 16:31
by Xiaoxiong
Cannot finish the NEGF testrunK. Yamaguchi411242020/01/18 12:34
by T. Ozaki
error installation in openmx3.9Alireza Baradaran17632020/01/18 00:30
by Alireza Baradaran
Problem with jx in ver 3.9.1Zsolt59502020/01/17 11:29
by Asako Terasawa
Bad convergence for calculations with an electric field Chen17242020/01/16 13:35
by Po-Hao
NEGF zgetrf failed errormasood06742020/01/14 03:56
by masood
Error in installing openmx with intel mpi compiler and mkl Chen515672020/01/13 18:07
by Chen
NEGF Convergence problemVikash49462020/01/09 18:53
by Vikash
The convergence of RFC5Alisa17622020/01/02 15:51
by T. Ozaki
Patch 3.9.1 to OpenMX Ver. 3.9T. Ozaki07022020/01/02 15:40
by T. Ozaki
formate of seed_name.AtomMulP genrated by kSpinUmar farooq1111352019/12/31 11:57
by Naoya Yamaguchi
NEGF calculation of OpenMX Ver 3.9Xingqiang SHI28872019/12/30 16:39
by Xingqiang SHI
Forces of same structure gotten from openmx are a lot different from that from vaspZuzhang Lin29602019/12/25 01:27
by Zuzhang Lin
Question about '.md2' file.Liu Jie47182019/12/23 15:30
by Liu Jie
Higher Bond length of Arsenous acidLovleen Kaur210302019/12/18 18:20
by T. Ozaki
which paramiter can control the maximum step?Liu Jie108852019/12/18 12:01
by Liu Jie
pseudopotentials for ionsM Chen211062019/12/17 16:35
by Chen
How to obtain the initial charge?Liu Jie17832019/12/16 23:19
by T. Ozaki
Error when Installing 3.9 version kmaz18642019/12/11 22:53
by Mitsuaki Kawamura
Release of OpenMX Ver 3.9T. Ozaki29222019/12/11 21:33
by T. Ozaki
NEGF calculations converge to unphysical results when 2 leads are differentMaxim Visotin311612019/11/25 22:02
by Artem Pulkin
compiler error for Intel Compilers and MKL Libraryzhiying guo17612019/11/23 14:56
by Naoya Yamaguchi
Re: Installation of openmx in ubuntudeniz621212019/10/25 11:06
by Naoya Yamaguchi
SOLVED Bug on JX with Energy.Decomposition ONJhon W. Gonzalez29192019/10/20 11:04
by Jhon W. Gonzalez
(Maybe) fixing Vdw-d3(bj)Jhon W. Gonzalez319222019/10/16 13:41
by T. Ozaki
A sharing package for new version (2019) of PAO and VPSKylin09412019/10/06 09:25
by Kylin
stress calculationHoi18832019/09/21 11:35
by T. Ozaki
DFT+SOC --- bandgnu13 generates only BANDDAT1 file.Maedeh412072019/09/20 23:42
by Maedeh
nan error in optimization of Fe doped Arm chair graphene nano ribbonLovleen Kaur18752019/09/19 11:02
by Jhon W. Gonzalez
Nose-Hoover heat bath massPavel Ondracka112522019/09/16 12:49
by Naoya Yamaguchi
Compiling Jx executable in ubuntuAltan410732019/09/09 17:17
by Altan
orbital contributions of exchange coupling parametersBin Shao210852019/09/04 11:28
by Hongkee Yoon
Solvent modelLovleen Kaur07732019/09/02 18:22
by Lovleen Kaur
Understanding exchange coupling parameter calculationJhon W. Gonzalez08732019/08/30 07:26
by Jhon W. Gonzalez
optimization lattice constants of charged single layer 2d metallic materialsBin Shao08372019/08/27 14:03
by Bin Shao
Vdw-d3(bj) for 'band' calculationNikolai310012019/08/25 05:51
by Jhon W. Gonzalez

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