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From AdministratorTaisuke Ozaki057482005/01/09 05:33
by Taisuke Ozaki
NEB memory and parallel problemsReza2222020/01/26 15:48
by Reza
installation error OpenMX ver 3.9Maedeh151682020/01/26 09:50
by T. Ozaki
DosMain issue in metal-graphene heterostructures Samuel Dechamps1272020/01/25 13:51
by T. Ozaki
BerryFlux in slandered output file of calB Umar farooq4622020/01/23 16:24
by Umar farooq
cygwin_exception::open_stackdumpfile: Dumping stackmasood2302020/01/22 02:05
by masood
core dumped in the exchange coupling calculation (Jx) for Mn12 Po-Hao 2512020/01/20 16:07
by Asako Terasawa
LzSz only spin-orbit coupling in collinear spin calculation?Asako Terasawa71332020/01/19 22:41
by Alireza Baradaran
OpenMX 3.9 ELPA MPI/OpenMP hybridPui Wai (Leo) Ma1342020/01/18 17:48
by T. Ozaki
Error in compiling openmx3.9Xiaoxiong2532020/01/18 16:31
by Xiaoxiong
Cannot finish the NEGF testrunK. Yamaguchi4752020/01/18 12:34
by T. Ozaki
error installation in openmx3.9Alireza Baradaran1272020/01/18 00:30
by Alireza Baradaran
Problem with jx in ver 3.9.1Zsolt5512020/01/17 11:29
by Asako Terasawa
Bad convergence for calculations with an electric field Chen1312020/01/16 13:35
by Po-Hao
NEGF zgetrf failed errormasood0252020/01/14 03:56
by masood
Error in installing openmx with intel mpi compiler and mkl Chen51082020/01/13 18:07
by Chen
NEGF Convergence problemVikash4992020/01/09 18:53
by Vikash
The convergence of RFC5Alisa1522020/01/02 15:51
by T. Ozaki
Patch 3.9.1 to OpenMX Ver. 3.9T. Ozaki0562020/01/02 15:40
by T. Ozaki
formate of seed_name.AtomMulP genrated by kSpinUmar farooq111572019/12/31 11:57
by Naoya Yamaguchi
NEGF calculation of OpenMX Ver 3.9Xingqiang SHI2942019/12/30 16:39
by Xingqiang SHI
Forces of same structure gotten from openmx are a lot different from that from vaspZuzhang Lin21032019/12/25 01:27
by Zuzhang Lin
Question about '.md2' file.Liu Jie4542019/12/23 15:30
by Liu Jie
which paramiter can control the maximum step?Liu Jie101152019/12/18 12:01
by Liu Jie
pseudopotentials for ionsM Chen21542019/12/17 16:35
by Chen
Higher Bond length of Arsenous acidLovleen Kaur21852019/12/16 23:46
by T. Ozaki
How to obtain the initial charge?Liu Jie1832019/12/16 23:19
by T. Ozaki
Error when Installing 3.9 version kmaz11102019/12/11 22:53
by Mitsuaki Kawamura
Release of OpenMX Ver 3.9T. Ozaki21632019/12/11 21:33
by T. Ozaki
NEGF calculations converge to unphysical results when 2 leads are differentMaxim Visotin32412019/11/25 22:02
by Artem Pulkin
compiler error for Intel Compilers and MKL Libraryzhiying guo1902019/11/23 14:56
by Naoya Yamaguchi
Re: Installation of openmx in ubuntudeniz63242019/10/25 11:06
by Naoya Yamaguchi
SOLVED Bug on JX with Energy.Decomposition ONJhon W. Gonzalez21372019/10/20 11:04
by Jhon W. Gonzalez
(Maybe) fixing Vdw-d3(bj)Jhon W. Gonzalez31742019/10/16 13:41
by T. Ozaki
A sharing package for new version (2019) of PAO and VPSKylin01422019/10/06 09:25
by Kylin
stress calculationHoi11712019/09/21 11:35
by T. Ozaki
DFT+SOC --- bandgnu13 generates only BANDDAT1 file.Maedeh41762019/09/20 23:42
by Maedeh
nan error in optimization of Fe doped Arm chair graphene nano ribbonLovleen Kaur11452019/09/19 11:02
by Jhon W. Gonzalez
Nose-Hoover heat bath massPavel Ondracka11542019/09/16 12:49
by Naoya Yamaguchi
Compiling Jx executable in ubuntuAltan41662019/09/09 17:17
by Altan
orbital contributions of exchange coupling parametersBin Shao22212019/09/04 11:28
by Hongkee Yoon
Solvent modelLovleen Kaur01082019/09/02 18:22
by Lovleen Kaur
Understanding exchange coupling parameter calculationJhon W. Gonzalez01292019/08/30 07:26
by Jhon W. Gonzalez
optimization lattice constants of charged single layer 2d metallic materialsBin Shao01522019/08/27 14:03
by Bin Shao
Vdw-d3(bj) for 'band' calculationNikolai32892019/08/25 05:51
by Jhon W. Gonzalez
Mismatch DOS with conductance profile Devanand21192019/08/23 15:50
by Naoya Yamaguchi
How can we get the I-V curves with openmxRyoehi Nishioka21732019/08/22 16:17
by Ryoehi Nishioka
How to normalize charge density calculated from HOMO-LUMOEike F. Schwier73902019/08/21 20:07
by Eike F. Schwier
Very high noise and stoping calculationDouglas01012019/08/16 21:51
by Douglas
convergence problem (the last thread can not display correctly)Bin Shao31862019/08/07 14:22
by Naoya Yamaguchi

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