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Topics Author Replies Views Last Modified
Spi-orbit couplingArtem Pulkin15142021/08/01 11:48
by T. Ozaki
Bug in OpenMXArtem Pulkin25882021/08/01 11:11
by T. Ozaki
ScalingSamuel Dechamps13822021/08/01 10:32
by T. Ozaki
Error with gcc v10 +Samuel Dechamps22482021/07/30 12:41
by T. Ozaki
Error occurs when NEB calculation runs Ninomiya72932021/07/21 10:42
by Ninomiya
convegence problems with corehole calculationsPavel Ondračka84482021/07/20 18:41
by T. Ozaki
Temperature fluctations in NVT Nose Hoover MD calculationsLovleen Kaur42372021/07/20 17:27
by Lovleen Kaur
basic question about DFT-NEGFRK12242021/07/20 11:00
by T. Ozaki
Charge density distribution from the bottom conduction band and top valence bandZ52322021/07/20 10:51
by T. Ozaki
Absolute core electron binding energies with surface slabPavel Ondracka193642021/07/12 23:01
by Pavel Ondracka
Kgird dependence of HS.out valuePES217i32292021/07/02 09:10
by T. Ozaki
Mass of Heat Bath for Nose-Hoover thermostatMauro Sgroi35412021/06/25 16:52
by Lovleen Kaur
Memory problem in supercomputersNinomiya103692021/06/19 20:55
by Ninomiya
My Workstation restart just when the calculation start runing L.Bechohra22362021/06/17 04:37
by L.Bechohra
kSpin Error: No Bands are FoundSimba162832021/06/15 01:07
by Naoya Yamaguchi
Wrong band structure of BaSnO3 from OpenMXZuzhang Lin54912021/06/13 22:16
by T. Ozaki
Unit of x-axis (k-points) in BANDDAT1 file?Simba52252021/06/13 18:59
by Naoya Yamaguchi
How to Resume the calculations after it crashedSimba31962021/06/13 03:59
by Naoya Yamaguchi
Different Z2 Invariants with and without Band.dispersion 'on'Simba42992021/06/09 22:48
by T. Ozaki
Non-Integer Chern Number (CN)?Simba62992021/06/04 14:21
by Naoya Yamaguchi
SCF setting about geometry optimization or variable cell optimizationZ22252021/06/01 16:56
by Z
Computing Z2 invariant for 1D graphene nanoribbons (GNRs) by Z2FHYubin75662021/05/25 22:52
by Simba
stress tensor and band energyPavel Ondracka12732021/05/25 17:29
by Naoya Yamaguchi
spin spiral calculation not convergemani02662021/05/25 05:53
by mani
Chern numberwlliu73242021/05/24 22:39
by Simba
The meaning of Rn in HS.outMao23222021/05/17 17:14
by Mao
A problem about band generating by gnuplotZ22392021/05/12 21:17
by Z
PAO visulizationXin32422021/05/11 02:43
by Naoya Yamaguchi
ERROR: Lapack routine DSTEQR failedmani63462021/05/03 23:10
by Naoya Yamaguchi
Segmentation faultmani22882021/05/03 10:03
by mani
installatin openmx3.9 errorAdam246372021/04/23 01:35
by Naoya Yamaguchi
An error : "Num. of grids overlapping with atom" after mpirun openmx3.9Adam13322021/04/17 20:51
by Naoya Yamaguchi
input file for the restart calculationreza93472021/04/15 02:17
by Naoya Yamaguchi
Crys-MnO example from workSergey55502021/04/11 18:42
by Mehdi
about "Automatic running test with large-scale systems" (openmx3.9)Hiromi Hayashi02842021/03/30 17:34
by Hiromi Hayashi
Compilation Error: openmx 3.9 Renato25832021/03/04 11:47
by Renato
installatin openmx3.9 with intel-fortran compilersmani107832021/03/02 23:07
by mehdi
Negative charge Nd ions within DFT+U calculationAleksey15312021/02/19 15:00
by Jhon W. Gonzalez
NEB: how to decide the MD.Opt.criterion valueBorong64182021/02/05 10:27
by Borong
No rule to make target `Cluster_DFT.c', needed by `Cluster_DFT.o'. Stop.Riemann Dearakhshan13532020/12/31 18:56
by Naoya Yamaguchi
STM Simulation doesn't work when solver is ClusterKelvin14052020/12/28 02:42
by Naoya Yamaguchi
How to analyze Orbital magnetic MomentChen Yaqing03642020/12/27 20:58
by Chen Yaqing
determination of Exchange coupling parameterreza45202020/12/22 07:14
by reza
About euler angleLiu Jie03492020/12/16 22:28
by Liu Jie
How to relate the sequence for the orbital to atomic orbitalsRiemann Dearakhshan03612020/12/16 03:05
by Riemann Dearakhshan
In the ACE Model:What are the criteria for setting the start values?Zhenzhen Luo 13822020/12/14 19:39
by Naoya Yamaguchi
Label d-orbitals in PDOSLovleen Kaur35342020/12/14 14:19
by Lovleen Kaur
Filename.dden.cube fileRiemann Dearakhshan13862020/12/14 13:40
by Naoya Yamaguchi
Parameter about SymmetryLiu Jie03532020/12/14 11:45
by Liu Jie
scf.kgrid and scf.cutoffyeganeh nasr04002020/12/13 18:53
by yeganeh nasr

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