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From AdministratorTaisuke Ozaki015152021/04/07 21:20
by Taisuke Ozaki
My process was killed when I investigate YIG with 160 atomsLZQ0162025/06/20 13:32
by LZQ
How are the settings of dftd?dena0492025/06/10 22:48
by dena
How are the settings of dftd?dena11162025/06/02 21:11
by dena
Convergence Behavior of Spin Moments in Noncollinear Magnetic Order. ~ energycutoff and Kgrid ~Soichiro Kikuchi01092025/06/02 16:52
by Soichiro Kikuchi
Unconventional absorption energy obtaineddena11182025/05/31 20:12
by Yung-Ting Lee
Build openmx-3.962 with AOCC compiler errorhlajungo32112025/05/04 17:00
by kylin
Total energy reported in  the end  filedina01382025/04/18 18:45
by dina
Total energy reporteddina01312025/04/18 18:36
by dina
Different cutoff radius for each basis functionDaniel Pozsar01872025/04/15 00:04
by Daniel Pozsar
Electric filed in Heterostructure SlabMd Aktar Hossain01282025/04/05 15:48
by Md Aktar Hossain
Error with the NEGF CalculationKieran01292025/04/05 12:35
by Kieran
Errors about the the integration range and the atom coordinatesKieran01342025/04/03 00:03
by Kieran
Error occurs when running scfTieyuan Bian21482025/04/02 18:42
by Naoya Yamaguchi
Core-Hole Pseudo Cu 2pLuca Sementa01402025/03/25 01:59
by Luca Sementa
How to compute the retarded green function with the non-orthogonal-basis HamiltonianKieran11782025/03/11 22:13
by T. Ozaki
OpenMX installation (library in cluster machine)Amal82032025/03/03 19:39
by Amal
Install openMX3.9 on Ubuntu24Roya11822025/03/03 13:54
by Naoya Yamaguchi
How to use BoltzTrap2 interface with OpenMx Dr Santu11882025/02/28 19:44
by Masanobu Miyata
Help with Spin-Resolved Band Structure in Non-Collinear CaseMd Aktar Hossain11702025/02/27 21:54
by Naoya Yamaguchi
order on oprbitals in the density matrixLokamani11512025/02/18 13:54
by Lokamani
Problem with Pseudopotential Creation for F Atom containing 1s orbital in ADPACKEnomoto41872025/02/10 08:58
by Enomoto
How to use Mulliken charging data?dena21722025/02/09 02:14
by dena
Glycine optimizationdena82232025/02/07 14:44
by dena
Calculation of XPS absolute BE on surface slabHarry42212025/02/06 17:58
by Harry
OpenMX4Kelvin A25342025/02/04 15:15
by W. X. Ji
Problem in optimizing the absorption atefeh82272025/02/03 16:48
by atefeh
How to use?؛Automatic determination of the cell size؛dena21532025/02/03 15:39
by dena
Clarification on PAO Basis Suffixes, Range of Basis Set Choices, and Recommendations for Magnetic Exshiyc12312025/01/30 21:39
by T. Ozaki
Unreasonable exchange coupling parameters (Jij) for bcc Fe with increasing Kgrids obtained by jxGuangzong Xing21822025/01/30 21:27
by T. Ozaki
Setting time period in Nose-Hoover thermostat method during MD Vipin Kumar11792025/01/30 21:24
by T. Ozaki
Openmx3.9 installation error with intel oneapi 2025 versionSANTU BAIDYA22152025/01/30 15:05
by SANTU BAIDYA
Problem in installation openmx 3.9 EOM HUIYONG21882025/01/29 20:04
by SANTU BAIDYA
MPI problemMd Aktar Hossain72802025/01/23 17:34
by Md Aktar Hossain
Can calculations in OpenMX be performed in the water phase?atefeh01552025/01/19 05:01
by atefeh
Reason for changing the structure after runatefeh01512025/01/19 04:59
by atefeh
Unfolding in openmxMd Aktar Hossain12432025/01/18 17:26
by Naoya Yamaguchi
optical in negative energy rangeDebo Hao62442025/01/07 16:24
by Debo Hao
Mulliken population analysis_overlap matrix in openmxAmina33342024/12/31 21:42
by Naoya Yamaguchi
Installation problem in Ubuntu 24.04.1 LTSMd Aktar Hoosain63262024/12/29 00:42
by Md Aktar Hoosain
MD convergence bilayerLillian82802024/12/17 20:38
by Lillian
Results of Mulliken populations from different of EigenvalueSolver, Band and Cluster.Soichiro Kikuchi132782024/12/14 13:54
by Naoya Yamaguchi
How to enhance the symmetry constraints?shiyc63072024/12/13 20:20
by shiyc
kSpin(GridCalc) example gives incorrect spin textureSoichiro Kikuchi63052024/11/29 01:16
by Soichiro Kikuchi
energy matrix densityCarolina Gómez 01852024/11/28 21:48
by Carolina Gómez
Pseudopotential for Rare earth element, Yb.LINGZHI ZHANG02182024/11/28 11:48
by LINGZHI ZHANG
cross-density of state in energyCarolina Gómez 02092024/11/14 04:25
by Carolina Gómez
OpenMX parallelizationJose12412024/11/13 19:08
by Naoya Yamaguchi
Extract the spin data for input Wannier90Jack Turner12582024/11/12 12:58
by Naoya Yamaguchi
Electric polarization of BiFeO3 (procedure in obtaining net polarization)Amran Yatmeidhy52822024/11/01 21:56
by Naoya Yamaguchi

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