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Topics Author Replies Views Last Modified
formation energymaedeh12862022/12/11 22:20
by T. Ozaki
LSDA-PBE and SOC calculationsmaedeh33062022/12/09 17:43
by T. Ozaki
Band gap and DFT-D3Vicky23732022/12/07 10:49
by Vicky
magnetic fieldmaedeh23392022/12/05 23:19
by maedeh
Description of keywords in DFT-D3Masanobu Miyata63802022/12/02 22:09
by Masanobu Miyata
NEB convergenceMehdi Vejdanihemmat22802022/12/01 23:15
by Mehdi Vejdanihemmat
About calculating bulk system with coulomb cutoff methodTsubasa Hase34102022/12/01 18:10
by T. Ozaki
NEB restartMehdi Vejdanihemmat32672022/12/01 17:50
by T. Ozaki
What does the values of first couple of lines of band structure file represent?MD NILOY KHAN12762022/11/21 04:11
by Naoya Yamaguchi
Compile OpenMX v3.9.9 in windows using Msys2 or Mingw-w64Kylin02472022/11/18 12:26
by Kylin
Change direction of transmission in negf fileZeinab.mrd53022022/11/12 21:59
by zeinab.mrd
NEGF runtestMehdi Vejdanihemmat33602022/11/12 00:03
by Mehdi Vejdanihemmat
Interface with BoltzTraPWiwik129082022/11/11 15:22
by Wiwik
kSpin in 3.9.9Naoya Yamaguchi13492022/11/11 11:42
by T. Ozaki
Ghost states_band structureAmina124792022/11/11 11:14
by T. Ozaki
Installation openmx3.9 error: with Ubuntu 22 + ifort 2020Shahram 44942022/11/10 03:04
by Shahram
shift in Kohn-Sham potential while calculating work functionRishabh Sharma23292022/11/08 21:43
by Rishabh Sharma
Band unfolding of heterojunctionXinliang Huang13302022/11/08 13:25
by Chi-Cheng Lee
core dumped in the exchange coupling calculation (Jx) for cluster systemHEMANT ARORA33302022/11/01 23:42
by T. Ozaki
Bandstructure within energy rangeAnshu Gaur12852022/11/01 23:37
by T. Ozaki
Finished: Mentainance of the OpenMX websiteT. Ozaki02692022/10/31 01:15
by T. Ozaki
Error in MLWF calculated :rejectedAdantion24542022/10/21 13:54
by Adantion
About Fermi level and magnetic moment in MnBi2Te4ooteki44532022/10/21 13:04
by Oo Teki
How can I calculate the whole band dispersion in the Brillouin zone?Junyoung83392022/10/20 16:45
by Junyoung
Point group of a k-pointAlireza Baradaran13022022/10/20 14:59
by T. Ozaki
How to find interaction energy in result with using DFT-D3 methodAdantion13042022/10/20 14:57
by T. Ozaki
Z2 invariant calculationAlireza Baradaran54212022/10/19 15:10
by Naoya Yamaguchi
DOS Gaussian smearing Michele Amato23512022/10/13 01:00
by Michele Amato
Survey on the use of simulation codesT. Ozaki03232022/09/27 09:23
by T. Ozaki
Any plans on OpenMX 4.0?Weixiao Ji25062022/09/21 09:59
by Weixiao Ji
Type mismatch error at line 985 while installing 'makefile' of openmx3.8 with Kali linux terminalMD NILOY KHAN53132022/09/20 16:37
by Naoya Yamaguchi
Sizes of Hamiltonian and Overlap matrices in OpenMXWenfei54992022/09/15 18:38
by T. Ozaki
Non-Collinear DFT Euler AnglesMax Fusté Costa23192022/09/14 22:51
by T. Ozaki
How to calculate Local DOS (not PDOS)IK25332022/09/14 22:47
by T. Ozaki
installation error:config-f90.hmahendra63972022/09/04 23:15
by mahendra
GPU vs. CPUMehdi Vejdanihemmat26902022/08/26 16:18
by Mehdi Vejdanihemmat
Crystal structure with a moleculeELIE ALBERT74012022/08/26 10:58
by ELIE ALBERT
Spin Matrix ElementsJoel13352022/08/25 16:09
by T. Ozaki
SiC polymorphic DOS does not match with VASPIK14472022/08/24 14:11
by T. Ozaki
Problem with Jx calculationHemant Arora13852022/08/22 21:11
by Naoya Yamaguchi
About Onsite and Intersite interactions of DFT+U Yosua 23632022/08/16 10:52
by Yosua
Disagreement between bandgaps in band dispersion and DOSELIE ALBERT63232022/08/13 04:16
by ELIE ALBERT
Forces with core-holePavel Ondracka13072022/08/10 18:23
by T. Ozaki
STM image - energy window Michele Amato23992022/08/04 22:39
by Michele Amato
Error in DOS CalculationVipin104402022/07/30 10:01
by T. Ozaki
Band dispersion of the narrow-bandgap semiconductor black phosphorusHiroaki Tanaka44252022/07/29 22:14
by Hiroaki Tanaka
Energy levels of a moleculeELIE ALBERT23282022/07/29 21:30
by ELIE ALBERT
esp and scale factorsMehdi Vejdanihemmat23172022/07/26 15:42
by Mehdi Vejdanihemmat
Transport calculation of Fe|MgO|FeWuzhang Fang14022022/07/26 14:14
by T. Ozaki
thermal stability with openmxzeinab_mrd33982022/07/25 19:08
by Yung-Ting Lee

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