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Topics Author Replies Views Last Modified
How to analyze Orbital magnetic MomentChen Yaqing04672020/12/27 20:58
by Chen Yaqing
determination of Exchange coupling parameterreza46242020/12/22 07:14
by reza
About euler angleLiu Jie04462020/12/16 22:28
by Liu Jie
How to relate the sequence for the orbital to atomic orbitalsRiemann Dearakhshan04382020/12/16 03:05
by Riemann Dearakhshan
In the ACE Model:What are the criteria for setting the start values?Zhenzhen Luo 14802020/12/14 19:39
by Naoya Yamaguchi
Label d-orbitals in PDOSLovleen Kaur36482020/12/14 14:19
by Lovleen Kaur
Filename.dden.cube fileRiemann Dearakhshan14882020/12/14 13:40
by Naoya Yamaguchi
Parameter about SymmetryLiu Jie04462020/12/14 11:45
by Liu Jie
scf.kgrid and scf.cutoffyeganeh nasr04892020/12/13 18:53
by yeganeh nasr
Question about the sum of PDOSLiu Jie24852020/12/12 18:31
by Liu Jie
Difference in the energy value of single Al atom calculated by different method.Lovleen Kaur14282020/12/11 20:14
by Lovleen Kaur
Wrong calculation of chemical potential in some casesSeungjin Kang16242020/12/10 15:42
by Naoya Yamaguchi
OpenMX3.9 installation error -ubuntu 20.04 serverMangesh Diware26742020/12/02 11:28
by Mangesh Diware
Born effective charge reza25172020/11/26 03:15
by reza
Phononic spectraRiemann Dearakhshan15082020/11/26 01:50
by Naoya Yamaguchi
Negative scaling factor of spin-orbit couplingHyeon-Jong Park04542020/11/20 19:28
by Hyeon-Jong Park
Is it possible to use hybrid functional HSE06 in OpenMX? Lovleen Kaur05112020/11/20 15:44
by Lovleen Kaur
memory consumption of jx processorRuiwen Xie14892020/11/20 04:30
by Ruiwen Xie
Spin direction in non-collinear DFT calculationHyeon-Jong Park05682020/11/19 11:05
by Hyeon-Jong Park
Z2FH Riemann Dearakhshan115932020/11/18 18:10
by Hikaru Sawahata
tensile and compressive strainsHOI25232020/11/13 14:36
by T. Ozaki
qustion over second variational methodLiu Jie45412020/11/13 13:45
by T. Ozaki
Meaning of FNAN[Gc_AN] hou44652020/11/13 09:19
by hou
SiC + buffer layer 2x2 unfolding errorMalone75642020/11/11 07:01
by Malone
Ionic contribution of sawtooth potential for electric fields to force on atomsNaoya Yamaguchi08242020/11/03 04:49
by Naoya Yamaguchi
Test issuesGilad Gani64992020/11/02 19:36
by Naoya Yamaguchi
determination of magnetic moment by charge analysisreza24762020/11/02 15:22
by reza
Atom out of cell during geometry optimizationHan14272020/11/02 13:49
by T. Ozaki
OpenMX3.9 installation errorGilad Gani910772020/11/01 18:56
by Gilad Gani
BLACS WARNINGHusnan14872020/10/31 13:10
by Naoya Yamaguchi
optical conductivity and dielectric function in ver. 3.9reza25882020/10/31 03:45
by reza
Installing OpenMX-3.9 on supercomputerRiemann Dearakhshan27582020/10/30 04:47
by Riemann Dearakhshan
Macroscopic polarization calculation by Berry's phaseHOI14442020/10/29 01:00
by Naoya Yamaguchi
Install OpenMX with GCC 10Naoya Yamaguchi17842020/10/27 14:02
by Naoya Yamaguchi
Structure of parallelization in OpenMXAsako Terasawa24262020/10/26 18:00
by Asako Terasawa
Geometry optimization convergence with O(N) methodsMauro Sgroi35332020/10/23 17:04
by Mauro Sgroi
About input files for periodic system under zero biasLei 04822020/10/22 19:51
by Lei
MD energy drift using DC-LNO methodKelvin66512020/10/22 16:09
by Mauro Sgroi
Calculation of electrochemical potential of an electrode in contact with a liquidMauro Sgroi24582020/10/22 15:51
by Mauro Sgroi
scf convergence problem in soc calculationreza45862020/10/21 20:26
by reza
optimization problem reza24602020/10/21 20:24
by reza
Melting temperatureArtem Pulkin14312020/10/21 17:01
by T. Ozaki
About Zeeman termsLiu Jie14652020/10/21 16:42
by T. Ozaki
Can we obtain the orbital decomposition of exchange coupling parameterYi Ding24582020/10/21 16:36
by T. Ozaki
Spin orbit coupling Hamiltonian of isolated atomsChong Wang86692020/10/21 01:01
by T. Ozaki
Segmentation fault with version 3.9.2Mauro Sgroi25712020/10/14 16:45
by Mauro Sgroi
Unfolding cannot assign atoms in supercell-slab calculationsEike F. Schwier209292020/10/12 17:26
by Naoya Yamaguchi
Error when Installing OpenMX 3.9 Han39532020/10/10 02:28
by Naoya Yamaguchi
Clarification on ESMMauro Sgroi107032020/10/08 17:52
by Mauro Sgroi
Polarization calculationSergey116512020/10/08 02:46
by Naoya Yamaguchi

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