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

List of Threads

Topics Author Replies Views Last Modified
Sum_PDOSLina22712022/12/23 22:26
by Lina
Empty ".unfold_orb" fileShishir Kumar Pandey32782022/12/22 14:00
by Shishir Kumar Pandey
Activation energy of electrolyteMehdi Vejdanihemmat22412022/12/21 06:18
by Mehdi Vejdanihemmat
Numerical errors of the total energy Naoki Uemura12132022/12/16 13:53
by Naoki Uemura
about the optical calculations in OpenMX3.9Jian Zhou23152022/12/16 10:55
by Jian Zhou
Problem with NEGF calculation Hemant Arora02242022/12/14 02:40
by Hemant Arora
Error comes up when compiling openmx3.9Cosmo143012022/12/12 20:59
by Xinliang Huang
Non convergence in SOC calculationXinliang Huang52632022/12/12 19:25
by Xinliang Huang
formation energymaedeh12432022/12/11 22:20
by T. Ozaki
LSDA-PBE and SOC calculationsmaedeh32542022/12/09 17:43
by T. Ozaki
Band gap and DFT-D3Vicky22842022/12/07 10:49
by Vicky
magnetic fieldmaedeh22962022/12/05 23:19
by maedeh
Description of keywords in DFT-D3Masanobu Miyata63122022/12/02 22:09
by Masanobu Miyata
NEB convergenceMehdi Vejdanihemmat22342022/12/01 23:15
by Mehdi Vejdanihemmat
About calculating bulk system with coulomb cutoff methodTsubasa Hase33532022/12/01 18:10
by T. Ozaki
NEB restartMehdi Vejdanihemmat32232022/12/01 17:50
by T. Ozaki
What does the values of first couple of lines of band structure file represent?MD NILOY KHAN12392022/11/21 04:11
by Naoya Yamaguchi
Compile OpenMX v3.9.9 in windows using Msys2 or Mingw-w64Kylin02042022/11/18 12:26
by Kylin
Change direction of transmission in negf fileZeinab.mrd52582022/11/12 21:59
by zeinab.mrd
NEGF runtestMehdi Vejdanihemmat33092022/11/12 00:03
by Mehdi Vejdanihemmat
Interface with BoltzTraPWiwik127162022/11/11 15:22
by Wiwik
kSpin in 3.9.9Naoya Yamaguchi13012022/11/11 11:42
by T. Ozaki
Ghost states_band structureAmina124342022/11/11 11:14
by T. Ozaki
Installation openmx3.9 error: with Ubuntu 22 + ifort 2020Shahram 44172022/11/10 03:04
by Shahram
shift in Kohn-Sham potential while calculating work functionRishabh Sharma22772022/11/08 21:43
by Rishabh Sharma
Band unfolding of heterojunctionXinliang Huang12732022/11/08 13:25
by Chi-Cheng Lee
core dumped in the exchange coupling calculation (Jx) for cluster systemHEMANT ARORA32762022/11/01 23:42
by T. Ozaki
Bandstructure within energy rangeAnshu Gaur12482022/11/01 23:37
by T. Ozaki
Finished: Mentainance of the OpenMX websiteT. Ozaki02212022/10/31 01:15
by T. Ozaki
Error in MLWF calculated :rejectedAdantion23942022/10/21 13:54
by Adantion
About Fermi level and magnetic moment in MnBi2Te4ooteki43672022/10/21 13:04
by Oo Teki
How can I calculate the whole band dispersion in the Brillouin zone?Junyoung82942022/10/20 16:45
by Junyoung
Point group of a k-pointAlireza Baradaran12602022/10/20 14:59
by T. Ozaki
How to find interaction energy in result with using DFT-D3 methodAdantion12642022/10/20 14:57
by T. Ozaki
Z2 invariant calculationAlireza Baradaran53402022/10/19 15:10
by Naoya Yamaguchi
DOS Gaussian smearing Michele Amato22922022/10/13 01:00
by Michele Amato
Survey on the use of simulation codesT. Ozaki02772022/09/27 09:23
by T. Ozaki
Any plans on OpenMX 4.0?Weixiao Ji24502022/09/21 09:59
by Weixiao Ji
Type mismatch error at line 985 while installing 'makefile' of openmx3.8 with Kali linux terminalMD NILOY KHAN52672022/09/20 16:37
by Naoya Yamaguchi
Sizes of Hamiltonian and Overlap matrices in OpenMXWenfei54162022/09/15 18:38
by T. Ozaki
Non-Collinear DFT Euler AnglesMax Fusté Costa22742022/09/14 22:51
by T. Ozaki
How to calculate Local DOS (not PDOS)IK24162022/09/14 22:47
by T. Ozaki
installation error:config-f90.hmahendra63142022/09/04 23:15
by mahendra
GPU vs. CPUMehdi Vejdanihemmat25822022/08/26 16:18
by Mehdi Vejdanihemmat
Crystal structure with a moleculeELIE ALBERT73332022/08/26 10:58
by ELIE ALBERT
Spin Matrix ElementsJoel12852022/08/25 16:09
by T. Ozaki
SiC polymorphic DOS does not match with VASPIK13872022/08/24 14:11
by T. Ozaki
Problem with Jx calculationHemant Arora13362022/08/22 21:11
by Naoya Yamaguchi
About Onsite and Intersite interactions of DFT+U Yosua 23132022/08/16 10:52
by Yosua
Disagreement between bandgaps in band dispersion and DOSELIE ALBERT62772022/08/13 04:16
by ELIE ALBERT

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]


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


- Web Patio -