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Topics Author Replies Views Last Modified
A problem about band generating by gnuplotZ21562021/05/12 21:17
by Z
PAO visulizationXin31572021/05/11 02:43
by Naoya Yamaguchi
ERROR: Lapack routine DSTEQR failedmani62142021/05/03 23:10
by Naoya Yamaguchi
Segmentation faultmani21802021/05/03 10:03
by mani
installatin openmx3.9 errorAdam244322021/04/23 01:35
by Naoya Yamaguchi
An error : "Num. of grids overlapping with atom" after mpirun openmx3.9Adam12212021/04/17 20:51
by Naoya Yamaguchi
input file for the restart calculationreza92292021/04/15 02:17
by Naoya Yamaguchi
Crys-MnO example from workSergey54572021/04/11 18:42
by Mehdi
about "Automatic running test with large-scale systems" (openmx3.9)Hiromi Hayashi01952021/03/30 17:34
by Hiromi Hayashi
Compilation Error: openmx 3.9 Renato23952021/03/04 11:47
by Renato
installatin openmx3.9 with intel-fortran compilersmani105502021/03/02 23:07
by mehdi
Negative charge Nd ions within DFT+U calculationAleksey14082021/02/19 15:00
by Jhon W. Gonzalez
NEB: how to decide the MD.Opt.criterion valueBorong63022021/02/05 10:27
by Borong
No rule to make target `Cluster_DFT.c', needed by `Cluster_DFT.o'. Stop.Riemann Dearakhshan12602020/12/31 18:56
by Naoya Yamaguchi
STM Simulation doesn't work when solver is ClusterKelvin12962020/12/28 02:42
by Naoya Yamaguchi
How to analyze Orbital magnetic MomentChen Yaqing02682020/12/27 20:58
by Chen Yaqing
determination of Exchange coupling parameterreza44172020/12/22 07:14
by reza
About euler angleLiu Jie02612020/12/16 22:28
by Liu Jie
How to relate the sequence for the orbital to atomic orbitalsRiemann Dearakhshan02762020/12/16 03:05
by Riemann Dearakhshan
In the ACE Model:What are the criteria for setting the start values?Zhenzhen Luo 12692020/12/14 19:39
by Naoya Yamaguchi
Label d-orbitals in PDOSLovleen Kaur33972020/12/14 14:19
by Lovleen Kaur
Filename.dden.cube fileRiemann Dearakhshan12762020/12/14 13:40
by Naoya Yamaguchi
Parameter about SymmetryLiu Jie02662020/12/14 11:45
by Liu Jie
scf.kgrid and scf.cutoffyeganeh nasr02872020/12/13 18:53
by yeganeh nasr
Question about the sum of PDOSLiu Jie22612020/12/12 18:31
by Liu Jie
Difference in the energy value of single Al atom calculated by different method.Lovleen Kaur12572020/12/11 20:14
by Lovleen Kaur
Wrong calculation of chemical potential in some casesSeungjin Kang13892020/12/10 15:42
by Naoya Yamaguchi
OpenMX3.9 installation error -ubuntu 20.04 serverMangesh Diware24192020/12/02 11:28
by Mangesh Diware
Born effective charge reza23202020/11/26 03:15
by reza
Phononic spectraRiemann Dearakhshan13072020/11/26 01:50
by Naoya Yamaguchi
Negative scaling factor of spin-orbit couplingHyeon-Jong Park02672020/11/20 19:28
by Hyeon-Jong Park
Is it possible to use hybrid functional HSE06 in OpenMX? Lovleen Kaur02982020/11/20 15:44
by Lovleen Kaur
memory consumption of jx processorRuiwen Xie12942020/11/20 04:30
by Ruiwen Xie
Spin direction in non-collinear DFT calculationHyeon-Jong Park03232020/11/19 11:05
by Hyeon-Jong Park
Z2FH Riemann Dearakhshan113852020/11/18 18:10
by Hikaru Sawahata
tensile and compressive strainsHOI23292020/11/13 14:36
by T. Ozaki
qustion over second variational methodLiu Jie43212020/11/13 13:45
by T. Ozaki
Meaning of FNAN[Gc_AN] hou42822020/11/13 09:19
by hou
SiC + buffer layer 2x2 unfolding errorMalone73462020/11/11 07:01
by Malone
Ionic contribution of sawtooth potential for electric fields to force on atomsNaoya Yamaguchi06192020/11/03 04:49
by Naoya Yamaguchi
Test issuesGilad Gani63102020/11/02 19:36
by Naoya Yamaguchi
determination of magnetic moment by charge analysisreza22912020/11/02 15:22
by reza
Atom out of cell during geometry optimizationHan12522020/11/02 13:49
by T. Ozaki
OpenMX3.9 installation errorGilad Gani95192020/11/01 18:56
by Gilad Gani
BLACS WARNINGHusnan12982020/10/31 13:10
by Naoya Yamaguchi
optical conductivity and dielectric function in ver. 3.9reza23312020/10/31 03:45
by reza
Installing OpenMX-3.9 on supercomputerRiemann Dearakhshan23882020/10/30 04:47
by Riemann Dearakhshan
Macroscopic polarization calculation by Berry's phaseHOI12492020/10/29 01:00
by Naoya Yamaguchi
Install OpenMX with GCC 10Naoya Yamaguchi14242020/10/27 14:02
by Naoya Yamaguchi
Structure of parallelization in OpenMXAsako Terasawa22372020/10/26 18:00
by Asako Terasawa

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