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Topics Author Replies Views Last Modified
About input files for periodic system under zero biasLei 01152020/10/22 19:51
by Lei
MD energy drift using DC-LNO methodKelvin63102020/10/22 16:09
by Mauro Sgroi
Calculation of electrochemical potential of an electrode in contact with a liquidMauro Sgroi21462020/10/22 15:51
by Mauro Sgroi
scf convergence problem in soc calculationreza41732020/10/21 20:26
by reza
optimization problem reza21222020/10/21 20:24
by reza
Melting temperatureArtem Pulkin11152020/10/21 17:01
by T. Ozaki
About Zeeman termsLiu Jie11362020/10/21 16:42
by T. Ozaki
Can we obtain the orbital decomposition of exchange coupling parameterYi Ding21402020/10/21 16:36
by T. Ozaki
Spin orbit coupling Hamiltonian of isolated atomsChong Wang82012020/10/21 01:01
by T. Ozaki
Segmentation fault with version 3.9.2Mauro Sgroi21392020/10/14 16:45
by Mauro Sgroi
Unfolding cannot assign atoms in supercell-slab calculationsEike F. Schwier203242020/10/12 17:26
by Naoya Yamaguchi
Error when Installing OpenMX 3.9 Han32452020/10/10 02:28
by Naoya Yamaguchi
Clarification on ESMMauro Sgroi102142020/10/08 17:52
by Mauro Sgroi
Polarization calculationSergey112072020/10/08 02:46
by Naoya Yamaguchi
Error of test calculation and automatic running testHase Tsubasa12432020/10/06 13:39
by Naoya Yamaguchi
Problem with md2axsfMauro Sgroi51462020/10/03 02:23
by Mauro Sgroi
Flat bands around E = 0 eVMalone21422020/09/30 18:12
by Zsolt
unit of k-path in gnuband Yuan11202020/09/30 12:43
by Naoya Yamaguchi
Band dispersion of FeZsolt21422020/09/29 18:52
by Zsolt
Large Una energy valuesMalone21342020/09/26 01:45
by Malone
Per-atom energy from divide-conquerArtem Pulkin31522020/09/17 07:13
by Artem Pulkin
Is restart needed for the final state calculation for binding energies of core levels?Pavel Ondracka41932020/09/15 15:23
by Pavel Ondracka
What will the value of "NEGF.Channel.Num" for eigen channel calculation in AGNR.Lovleen Kaur11392020/09/13 22:10
by Mitsuaki Kawamura
NEGF calculations not startingElie Moujaes01262020/09/11 01:16
by Elie Moujaes
ERROR: Lapack routine in version 3.9.2Mauro Sgroi31702020/09/11 00:45
by Mauro Sgroi
Geometry Optimization with External Electric FieldDihan01672020/08/25 17:18
by Dihan
ESM model on doped trilayer grapheneSamuel Dechamps01382020/08/22 00:50
by Samuel Dechamps
Bad termination for band unfoldingWei Lai21512020/08/16 00:22
by Wei Lai
OpenMX in ubuntu 20.04Te13382020/08/14 17:22
by Naoya Yamaguchi
Charge convergence for non-equilibrium transportSamuel Dechamps01472020/08/12 02:33
by Samuel Dechamps
Zeeman term in the OpenMx3.9 have problemUmar farooq53612020/08/08 00:57
by eco friendly sponges
"scf.restart" before finishing the first calculationMaedeh41842020/08/01 18:29
by Maedeh
Problem with jx calculationsElie Moujaes01902020/07/31 03:58
by Elie Moujaes
Topological invariant calculation for large system with only gamma kpointFrank22022020/07/27 11:46
by Fumiyuki Ishii
converged structuresElie Moujaes21712020/07/25 02:04
by Elie Moujaes
Exchange parameters of NiO rhombohedralElie Moujaes01702020/07/24 10:41
by Elie Moujaes
About mpirunLiu Jie21872020/07/20 15:42
by Liu Jie
Different atomic force from same atomic configuration positionYuanhan21822020/07/20 08:08
by T. Ozaki
Crys-MnO example from workSergey42132020/07/11 09:22
by Sergey
MPI problem during compilingEike F. Schwier46232020/07/09 23:13
by Eike F. Schwier
Totally wrong convergence in supercellZuzhang Lin113022020/07/02 09:45
by Zuzhang Lin
Issue Compiling OpenMX 3.9David12412020/07/01 12:58
by Naoya Yamaguchi
Outputting core electron density?Kelvin21902020/06/27 22:40
by T. Ozaki
HS.Fileout-zero imaginary part of spin mixing (spin=3) while including socMaedeh83252020/06/18 04:09
by Maedeh
Constrained relaxationSergey22452020/06/10 17:17
by T. Ozaki
Electrostatic potential of a moleculeKelvin12622020/06/10 17:07
by T. Ozaki
User-Defined SNAN+FNAN not working?Kelvin11882020/06/10 16:55
by T. Ozaki
DFT-D3 energy changes between v3.9 and v3.8Milica Todorovic43142020/06/10 16:23
by T. Ozaki
installation error-make filedeniz84142020/06/04 22:32
by Deniz
About building OpenMX on ubuntuhiroaki tanzawa02022020/05/26 18:24
by hiroaki tanzawa

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