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From AdministratorTaisuke Ozaki015302021/04/07 21:20
by Taisuke Ozaki
OpenMX4Kelvin A35462025/07/05 13:57
by W. X. Ji
Atomic resolved band energy and atomic resolved magnetic anisotropy FePt  Xubo Liu0102025/07/04 01:29
by Xubo Liu
Unconventional absorption energy obtaineddena21392025/07/01 19:04
by dena
Assignment orbital number and dirrection in a PDOS output.TAKUMA TAKEDA0152025/07/01 15:20
by TAKUMA TAKEDA
My process was killed when I investigate YIG with 160 atomsLZQ1462025/06/26 23:48
by Aleksey
How are the settings of dftd?dena0592025/06/10 22:48
by dena
How are the settings of dftd?dena11352025/06/02 21:11
by dena
Convergence Behavior of Spin Moments in Noncollinear Magnetic Order. ~ energycutoff and Kgrid ~Soichiro Kikuchi01202025/06/02 16:52
by Soichiro Kikuchi
Build openmx-3.962 with AOCC compiler errorhlajungo32272025/05/04 17:00
by kylin
Total energy reported in  the end  filedina01512025/04/18 18:45
by dina
Total energy reporteddina01402025/04/18 18:36
by dina
Different cutoff radius for each basis functionDaniel Pozsar01952025/04/15 00:04
by Daniel Pozsar
Electric filed in Heterostructure SlabMd Aktar Hossain01422025/04/05 15:48
by Md Aktar Hossain
Error with the NEGF CalculationKieran01412025/04/05 12:35
by Kieran
Errors about the the integration range and the atom coordinatesKieran01462025/04/03 00:03
by Kieran
Error occurs when running scfTieyuan Bian21622025/04/02 18:42
by Naoya Yamaguchi
Core-Hole Pseudo Cu 2pLuca Sementa01512025/03/25 01:59
by Luca Sementa
How to compute the retarded green function with the non-orthogonal-basis HamiltonianKieran11922025/03/11 22:13
by T. Ozaki
OpenMX installation (library in cluster machine)Amal82152025/03/03 19:39
by Amal
Install openMX3.9 on Ubuntu24Roya11952025/03/03 13:54
by Naoya Yamaguchi
How to use BoltzTrap2 interface with OpenMx Dr Santu12072025/02/28 19:44
by Masanobu Miyata
Help with Spin-Resolved Band Structure in Non-Collinear CaseMd Aktar Hossain11822025/02/27 21:54
by Naoya Yamaguchi
order on oprbitals in the density matrixLokamani11622025/02/18 13:54
by Lokamani
Problem with Pseudopotential Creation for F Atom containing 1s orbital in ADPACKEnomoto41972025/02/10 08:58
by Enomoto
How to use Mulliken charging data?dena21842025/02/09 02:14
by dena
Glycine optimizationdena82322025/02/07 14:44
by dena
Calculation of XPS absolute BE on surface slabHarry42322025/02/06 17:58
by Harry
Problem in optimizing the absorption atefeh82372025/02/03 16:48
by atefeh
How to use?؛Automatic determination of the cell size؛dena21662025/02/03 15:39
by dena
Clarification on PAO Basis Suffixes, Range of Basis Set Choices, and Recommendations for Magnetic Exshiyc12372025/01/30 21:39
by T. Ozaki
Unreasonable exchange coupling parameters (Jij) for bcc Fe with increasing Kgrids obtained by jxGuangzong Xing22002025/01/30 21:27
by T. Ozaki
Setting time period in Nose-Hoover thermostat method during MD Vipin Kumar11912025/01/30 21:24
by T. Ozaki
Openmx3.9 installation error with intel oneapi 2025 versionSANTU BAIDYA22342025/01/30 15:05
by SANTU BAIDYA
Problem in installation openmx 3.9 EOM HUIYONG22072025/01/29 20:04
by SANTU BAIDYA
MPI problemMd Aktar Hossain73122025/01/23 17:34
by Md Aktar Hossain
Can calculations in OpenMX be performed in the water phase?atefeh01662025/01/19 05:01
by atefeh
Reason for changing the structure after runatefeh01612025/01/19 04:59
by atefeh
Unfolding in openmxMd Aktar Hossain12542025/01/18 17:26
by Naoya Yamaguchi
optical in negative energy rangeDebo Hao62552025/01/07 16:24
by Debo Hao
Mulliken population analysis_overlap matrix in openmxAmina33562024/12/31 21:42
by Naoya Yamaguchi
Installation problem in Ubuntu 24.04.1 LTSMd Aktar Hoosain63452024/12/29 00:42
by Md Aktar Hoosain
MD convergence bilayerLillian82892024/12/17 20:38
by Lillian
Results of Mulliken populations from different of EigenvalueSolver, Band and Cluster.Soichiro Kikuchi132862024/12/14 13:54
by Naoya Yamaguchi
How to enhance the symmetry constraints?shiyc63302024/12/13 20:20
by shiyc
kSpin(GridCalc) example gives incorrect spin textureSoichiro Kikuchi63172024/11/29 01:16
by Soichiro Kikuchi
energy matrix densityCarolina Gómez 01912024/11/28 21:48
by Carolina Gómez
Pseudopotential for Rare earth element, Yb.LINGZHI ZHANG02252024/11/28 11:48
by LINGZHI ZHANG
cross-density of state in energyCarolina Gómez 02182024/11/14 04:25
by Carolina Gómez
OpenMX parallelizationJose12492024/11/13 19:08
by Naoya Yamaguchi

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