OpenMX Forum
New Thread | Return Home | Mailing List | Points of Concern | Search | Past Log | Administration    

List of Threads

Topics Author Replies Views Last Modified
LSDA-PBE and SOC calculationsmaedeh36072022/12/09 17:43
by T. Ozaki
Band gap and DFT-D3Vicky29012022/12/07 10:49
by Vicky
magnetic fieldmaedeh26432022/12/05 23:19
by maedeh
Description of keywords in DFT-D3Masanobu Miyata68572022/12/02 22:09
by Masanobu Miyata
NEB convergenceMehdi Vejdanihemmat26262022/12/01 23:15
by Mehdi Vejdanihemmat
About calculating bulk system with coulomb cutoff methodTsubasa Hase38222022/12/01 18:10
by T. Ozaki
NEB restartMehdi Vejdanihemmat35652022/12/01 17:50
by T. Ozaki
What does the values of first couple of lines of band structure file represent?MD NILOY KHAN15842022/11/21 04:11
by Naoya Yamaguchi
Compile OpenMX v3.9.9 in windows using Msys2 or Mingw-w64Kylin05792022/11/18 12:26
by Kylin
Change direction of transmission in negf fileZeinab.mrd56652022/11/12 21:59
by zeinab.mrd
NEGF runtestMehdi Vejdanihemmat36942022/11/12 00:03
by Mehdi Vejdanihemmat
Interface with BoltzTraPWiwik1219902022/11/11 15:22
by Wiwik
kSpin in 3.9.9Naoya Yamaguchi17202022/11/11 11:42
by T. Ozaki
Ghost states_band structureAmina127952022/11/11 11:14
by T. Ozaki
Installation openmx3.9 error: with Ubuntu 22 + ifort 2020Shahram 49342022/11/10 03:04
by Shahram
shift in Kohn-Sham potential while calculating work functionRishabh Sharma26492022/11/08 21:43
by Rishabh Sharma
Band unfolding of heterojunctionXinliang Huang17812022/11/08 13:25
by Chi-Cheng Lee
core dumped in the exchange coupling calculation (Jx) for cluster systemHEMANT ARORA37512022/11/01 23:42
by T. Ozaki
Bandstructure within energy rangeAnshu Gaur15952022/11/01 23:37
by T. Ozaki
Finished: Mentainance of the OpenMX websiteT. Ozaki05382022/10/31 01:15
by T. Ozaki
Error in MLWF calculated :rejectedAdantion28482022/10/21 13:54
by Adantion
About Fermi level and magnetic moment in MnBi2Te4ooteki411082022/10/21 13:04
by Oo Teki
How can I calculate the whole band dispersion in the Brillouin zone?Junyoung86632022/10/20 16:45
by Junyoung
Point group of a k-pointAlireza Baradaran15882022/10/20 14:59
by T. Ozaki
How to find interaction energy in result with using DFT-D3 methodAdantion15982022/10/20 14:57
by T. Ozaki
Z2 invariant calculationAlireza Baradaran59582022/10/19 15:10
by Naoya Yamaguchi
DOS Gaussian smearing Michele Amato27792022/10/13 01:00
by Michele Amato
Survey on the use of simulation codesT. Ozaki06502022/09/27 09:23
by T. Ozaki
Any plans on OpenMX 4.0?Weixiao Ji28912022/09/21 09:59
by Weixiao Ji
Type mismatch error at line 985 while installing 'makefile' of openmx3.8 with Kali linux terminalMD NILOY KHAN57512022/09/20 16:37
by Naoya Yamaguchi
Sizes of Hamiltonian and Overlap matrices in OpenMXWenfei510402022/09/15 18:38
by T. Ozaki
Non-Collinear DFT Euler AnglesMax Fusté Costa26712022/09/14 22:51
by T. Ozaki
How to calculate Local DOS (not PDOS)IK211182022/09/14 22:47
by T. Ozaki
installation error:config-f90.hmahendra68612022/09/04 23:15
by mahendra
GPU vs. CPUMehdi Vejdanihemmat217192022/08/26 16:18
by Mehdi Vejdanihemmat
Crystal structure with a moleculeELIE ALBERT714462022/08/26 10:58
by ELIE ALBERT
Spin Matrix ElementsJoel16412022/08/25 16:09
by T. Ozaki
SiC polymorphic DOS does not match with VASPIK19622022/08/24 14:11
by T. Ozaki
Problem with Jx calculationHemant Arora17542022/08/22 21:11
by Naoya Yamaguchi
About Onsite and Intersite interactions of DFT+U Yosua 28642022/08/16 10:52
by Yosua
Disagreement between bandgaps in band dispersion and DOSELIE ALBERT66882022/08/13 04:16
by ELIE ALBERT
Forces with core-holePavel Ondracka16212022/08/10 18:23
by T. Ozaki
STM image - energy window Michele Amato27742022/08/04 22:39
by Michele Amato
Error in DOS CalculationVipin109152022/07/30 10:01
by T. Ozaki
Band dispersion of the narrow-bandgap semiconductor black phosphorusHiroaki Tanaka47512022/07/29 22:14
by Hiroaki Tanaka
Energy levels of a moleculeELIE ALBERT27002022/07/29 21:30
by ELIE ALBERT
esp and scale factorsMehdi Vejdanihemmat27542022/07/26 15:42
by Mehdi Vejdanihemmat
Transport calculation of Fe|MgO|FeWuzhang Fang111932022/07/26 14:14
by T. Ozaki
thermal stability with openmxzeinab_mrd38312022/07/25 19:08
by Yung-Ting Lee
make espMehdi Vejdanihemmat109062022/07/24 07:03
by Mehdi Vejdanihemmat

Page: [1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [13] [14] [15] [16] [17] [18] [19] [20] [21] [22] [23] [24] [25] [26] [27] [28] [29] [30] [31] [32] [33]


Open Thread    Locked Thread    Alarm(More than 900 replies)   Message from Administrator


- Web Patio -