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Topics Author Replies Views Last Modified
Atom out of cell during geometry optimizationHan18792020/11/02 13:49
by T. Ozaki
OpenMX3.9 installation errorGilad Gani923472020/11/01 18:56
by Gilad Gani
BLACS WARNINGHusnan19722020/10/31 13:10
by Naoya Yamaguchi
optical conductivity and dielectric function in ver. 3.9reza210252020/10/31 03:45
by reza
Installing OpenMX-3.9 on supercomputerRiemann Dearakhshan214512020/10/30 04:47
by Riemann Dearakhshan
Macroscopic polarization calculation by Berry's phaseHOI18722020/10/29 01:00
by Naoya Yamaguchi
Install OpenMX with GCC 10Naoya Yamaguchi118412020/10/27 14:02
by Naoya Yamaguchi
Structure of parallelization in OpenMXAsako Terasawa28182020/10/26 18:00
by Asako Terasawa
Geometry optimization convergence with O(N) methodsMauro Sgroi310572020/10/23 17:04
by Mauro Sgroi
About input files for periodic system under zero biasLei 010802020/10/22 19:51
by Lei
MD energy drift using DC-LNO methodKelvin611462020/10/22 16:09
by Mauro Sgroi
Calculation of electrochemical potential of an electrode in contact with a liquidMauro Sgroi29292020/10/22 15:51
by Mauro Sgroi
scf convergence problem in soc calculationreza411412020/10/21 20:26
by reza
optimization problem reza29672020/10/21 20:24
by reza
Melting temperatureArtem Pulkin19342020/10/21 17:01
by T. Ozaki
About Zeeman termsLiu Jie18912020/10/21 16:42
by T. Ozaki
Can we obtain the orbital decomposition of exchange coupling parameterYi Ding29202020/10/21 16:36
by T. Ozaki
Spin orbit coupling Hamiltonian of isolated atomsChong Wang813022020/10/21 01:01
by T. Ozaki
Segmentation fault with version 3.9.2Mauro Sgroi214052020/10/14 16:45
by Mauro Sgroi
Unfolding cannot assign atoms in supercell-slab calculationsEike F. Schwier2017232020/10/12 17:26
by Naoya Yamaguchi
Error when Installing OpenMX 3.9 Han318002020/10/10 02:28
by Naoya Yamaguchi
Clarification on ESMMauro Sgroi1013752020/10/08 17:52
by Mauro Sgroi
Polarization calculationSergey1116652020/10/08 02:46
by Naoya Yamaguchi
Error of test calculation and automatic running testHase Tsubasa142832020/10/06 13:39
by Naoya Yamaguchi
Problem with md2axsfMauro Sgroi59842020/10/03 02:23
by Mauro Sgroi
Flat bands around E = 0 eVMalone29622020/09/30 18:12
by Zsolt
unit of k-path in gnuband Yuan18772020/09/30 12:43
by Naoya Yamaguchi
Band dispersion of FeZsolt29512020/09/29 18:52
by Zsolt
Large Una energy valuesMalone28672020/09/26 01:45
by Malone
Per-atom energy from divide-conquerArtem Pulkin39032020/09/17 07:13
by Artem Pulkin
Is restart needed for the final state calculation for binding energies of core levels?Pavel Ondracka49982020/09/15 15:23
by Pavel Ondracka
What will the value of "NEGF.Channel.Num" for eigen channel calculation in AGNR.Lovleen Kaur19612020/09/13 22:10
by Mitsuaki Kawamura
NEGF calculations not startingElie Moujaes09292020/09/11 01:16
by Elie Moujaes
ERROR: Lapack routine in version 3.9.2Mauro Sgroi314722020/09/11 00:45
by Mauro Sgroi
Geometry Optimization with External Electric FieldDihan010432020/08/25 17:18
by Dihan
ESM model on doped trilayer grapheneSamuel Dechamps08622020/08/22 00:50
by Samuel Dechamps
Bad termination for band unfoldingWei Lai29022020/08/16 00:22
by Wei Lai
OpenMX in ubuntu 20.04Te123002020/08/14 17:22
by Naoya Yamaguchi
Charge convergence for non-equilibrium transportSamuel Dechamps09532020/08/12 02:33
by Samuel Dechamps
"scf.restart" before finishing the first calculationMaedeh410162020/08/01 18:29
by Maedeh
Problem with jx calculationsElie Moujaes010452020/07/31 03:58
by Elie Moujaes
Topological invariant calculation for large system with only gamma kpointFrank29902020/07/27 11:46
by Fumiyuki Ishii
converged structuresElie Moujaes29502020/07/25 02:04
by Elie Moujaes
Exchange parameters of NiO rhombohedralElie Moujaes08982020/07/24 10:41
by Elie Moujaes
About mpirunLiu Jie210702020/07/20 15:42
by Liu Jie
Different atomic force from same atomic configuration positionYuanhan29272020/07/20 08:08
by T. Ozaki
MPI problem during compilingEike F. Schwier434362020/07/09 23:13
by Eike F. Schwier
Totally wrong convergence in supercellZuzhang Lin1115392020/07/02 09:45
by Zuzhang Lin
Issue Compiling OpenMX 3.9David111292020/07/01 12:58
by Naoya Yamaguchi
Outputting core electron density?Kelvin29722020/06/27 22:40
by T. Ozaki

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