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Topics Author Replies Views Last Modified
Question about the sum of PDOSLiu Jie23782020/12/12 18:31
by Liu Jie
Difference in the energy value of single Al atom calculated by different method.Lovleen Kaur13532020/12/11 20:14
by Lovleen Kaur
Wrong calculation of chemical potential in some casesSeungjin Kang15102020/12/10 15:42
by Naoya Yamaguchi
OpenMX3.9 installation error -ubuntu 20.04 serverMangesh Diware25662020/12/02 11:28
by Mangesh Diware
Born effective charge reza24352020/11/26 03:15
by reza
Phononic spectraRiemann Dearakhshan14162020/11/26 01:50
by Naoya Yamaguchi
Negative scaling factor of spin-orbit couplingHyeon-Jong Park03722020/11/20 19:28
by Hyeon-Jong Park
Is it possible to use hybrid functional HSE06 in OpenMX? Lovleen Kaur04162020/11/20 15:44
by Lovleen Kaur
memory consumption of jx processorRuiwen Xie14042020/11/20 04:30
by Ruiwen Xie
Spin direction in non-collinear DFT calculationHyeon-Jong Park04632020/11/19 11:05
by Hyeon-Jong Park
Z2FH Riemann Dearakhshan114952020/11/18 18:10
by Hikaru Sawahata
tensile and compressive strainsHOI24322020/11/13 14:36
by T. Ozaki
qustion over second variational methodLiu Jie44352020/11/13 13:45
by T. Ozaki
Meaning of FNAN[Gc_AN] hou43762020/11/13 09:19
by hou
SiC + buffer layer 2x2 unfolding errorMalone74622020/11/11 07:01
by Malone
Ionic contribution of sawtooth potential for electric fields to force on atomsNaoya Yamaguchi07282020/11/03 04:49
by Naoya Yamaguchi
Test issuesGilad Gani64132020/11/02 19:36
by Naoya Yamaguchi
determination of magnetic moment by charge analysisreza23892020/11/02 15:22
by reza
Atom out of cell during geometry optimizationHan13392020/11/02 13:49
by T. Ozaki
OpenMX3.9 installation errorGilad Gani98072020/11/01 18:56
by Gilad Gani
BLACS WARNINGHusnan14052020/10/31 13:10
by Naoya Yamaguchi
optical conductivity and dielectric function in ver. 3.9reza24892020/10/31 03:45
by reza
Installing OpenMX-3.9 on supercomputerRiemann Dearakhshan26022020/10/30 04:47
by Riemann Dearakhshan
Macroscopic polarization calculation by Berry's phaseHOI13622020/10/29 01:00
by Naoya Yamaguchi
Install OpenMX with GCC 10Naoya Yamaguchi16022020/10/27 14:02
by Naoya Yamaguchi
Structure of parallelization in OpenMXAsako Terasawa23282020/10/26 18:00
by Asako Terasawa
Geometry optimization convergence with O(N) methodsMauro Sgroi34372020/10/23 17:04
by Mauro Sgroi
About input files for periodic system under zero biasLei 03842020/10/22 19:51
by Lei
MD energy drift using DC-LNO methodKelvin65552020/10/22 16:09
by Mauro Sgroi
Calculation of electrochemical potential of an electrode in contact with a liquidMauro Sgroi23752020/10/22 15:51
by Mauro Sgroi
scf convergence problem in soc calculationreza44842020/10/21 20:26
by reza
optimization problem reza23632020/10/21 20:24
by reza
Melting temperatureArtem Pulkin13362020/10/21 17:01
by T. Ozaki
About Zeeman termsLiu Jie13672020/10/21 16:42
by T. Ozaki
Can we obtain the orbital decomposition of exchange coupling parameterYi Ding23732020/10/21 16:36
by T. Ozaki
Spin orbit coupling Hamiltonian of isolated atomsChong Wang85522020/10/21 01:01
by T. Ozaki
Segmentation fault with version 3.9.2Mauro Sgroi24452020/10/14 16:45
by Mauro Sgroi
Unfolding cannot assign atoms in supercell-slab calculationsEike F. Schwier207942020/10/12 17:26
by Naoya Yamaguchi
Error when Installing OpenMX 3.9 Han38062020/10/10 02:28
by Naoya Yamaguchi
Clarification on ESMMauro Sgroi105632020/10/08 17:52
by Mauro Sgroi
Polarization calculationSergey115322020/10/08 02:46
by Naoya Yamaguchi
Error of test calculation and automatic running testHase Tsubasa114402020/10/06 13:39
by Naoya Yamaguchi
Problem with md2axsfMauro Sgroi54012020/10/03 02:23
by Mauro Sgroi
Flat bands around E = 0 eVMalone23902020/09/30 18:12
by Zsolt
unit of k-path in gnuband Yuan13472020/09/30 12:43
by Naoya Yamaguchi
Band dispersion of FeZsolt23762020/09/29 18:52
by Zsolt
Large Una energy valuesMalone23452020/09/26 01:45
by Malone
Per-atom energy from divide-conquerArtem Pulkin33612020/09/17 07:13
by Artem Pulkin
Is restart needed for the final state calculation for binding energies of core levels?Pavel Ondracka44702020/09/15 15:23
by Pavel Ondracka
What will the value of "NEGF.Channel.Num" for eigen channel calculation in AGNR.Lovleen Kaur13922020/09/13 22:10
by Mitsuaki Kawamura

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