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Topics Author Replies Views Last Modified
Spin splitting with DFT+U methodVipin Kumar11632023/04/12 13:02
by T. Ozaki
DFT+U convergence problemVipin Kumar11592023/04/12 12:53
by T. Ozaki
How to calculate  the bands only near the Fermi level?wxkao11502023/04/12 09:30
by T. Ozaki
The value of "NormRD" in the calculation is "non"Xinliang Huang11762023/04/12 09:22
by T. Ozaki
Error reported in the slab model of the large systemXinliang Huang11452023/04/12 09:19
by T. Ozaki
how to calculate the fermi energymaedeh11592023/04/12 09:15
by T. Ozaki
Error in constraint non-collinear DFT calculationsYi-Feng Zhao31512023/04/07 21:28
by Yi-Feng Zhao
Off-diagonal part of the Kohn-Sham potentialHiroaki Tanaka21502023/03/30 09:41
by Hiroaki Tanaka
kSpin state populationMalone51932023/03/08 13:21
by Naoya Yamaguchi
PDOSNima52422023/02/21 18:51
by Nima
Problems in band calculationXinliang Huang42052023/02/20 21:20
by Xinliang Huang
Calculation of accurate band gapVipin Kumar42912023/02/16 18:00
by Pavel Ondračka
Hubbard U determinationMehdi Vejdanihemmat31782023/02/14 22:48
by Mehdi Vejdanihemmat
convergence in electric fieldmaedeh52032023/02/13 23:33
by maedeh
Band structure for SnS2 including HubbardZiba Torkashvand21572023/02/06 16:08
by Ziba Torkashvand
OpenMX viewerMehdi Vejdanihemmat21472023/02/02 21:10
by Mehdi Vejdanihemmat
rashba effectmaedeh11522023/02/02 12:39
by Naoya Yamaguchi
error in OpenMX3.9 installationMehdi Vejdanihemmat11392023/01/27 19:48
by Mehdi Vejdanihemmat
cubic-diamond Ge band structure issueMarc Tunica21672023/01/12 23:01
by Marc Tunica
error:mpirun noticed that process rank 11 with PID 0 on node node01 exited on signal 8 LinTzuChing41922022/12/31 22:49
by LinTzuChing
Sum_PDOSLina21832022/12/23 22:26
by Lina
Empty ".unfold_orb" fileShishir Kumar Pandey32152022/12/22 14:00
by Shishir Kumar Pandey
Activation energy of electrolyteMehdi Vejdanihemmat21772022/12/21 06:18
by Mehdi Vejdanihemmat
Numerical errors of the total energy Naoki Uemura11472022/12/16 13:53
by Naoki Uemura
about the optical calculations in OpenMX3.9Jian Zhou22082022/12/16 10:55
by Jian Zhou
Problem with NEGF calculation Hemant Arora01622022/12/14 02:40
by Hemant Arora
Error comes up when compiling openmx3.9Cosmo142302022/12/12 20:59
by Xinliang Huang
Non convergence in SOC calculationXinliang Huang51872022/12/12 19:25
by Xinliang Huang
formation energymaedeh11632022/12/11 22:20
by T. Ozaki
LSDA-PBE and SOC calculationsmaedeh31892022/12/09 17:43
by T. Ozaki
Band gap and DFT-D3Vicky21802022/12/07 10:49
by Vicky
magnetic fieldmaedeh21812022/12/05 23:19
by maedeh
Description of keywords in DFT-D3Masanobu Miyata62122022/12/02 22:09
by Masanobu Miyata
NEB convergenceMehdi Vejdanihemmat21542022/12/01 23:15
by Mehdi Vejdanihemmat
About calculating bulk system with coulomb cutoff methodTsubasa Hase32742022/12/01 18:10
by T. Ozaki
NEB restartMehdi Vejdanihemmat31652022/12/01 17:50
by T. Ozaki
What does the values of first couple of lines of band structure file represent?MD NILOY KHAN11542022/11/21 04:11
by Naoya Yamaguchi
Compile OpenMX v3.9.9 in windows using Msys2 or Mingw-w64Kylin01432022/11/18 12:26
by Kylin
Change direction of transmission in negf fileZeinab.mrd51952022/11/12 21:59
by zeinab.mrd
NEGF runtestMehdi Vejdanihemmat32222022/11/12 00:03
by Mehdi Vejdanihemmat
Interface with BoltzTraPWiwik125032022/11/11 15:22
by Wiwik
kSpin in 3.9.9Naoya Yamaguchi12192022/11/11 11:42
by T. Ozaki
Ghost states_band structureAmina123492022/11/11 11:14
by T. Ozaki
Installation openmx3.9 error: with Ubuntu 22 + ifort 2020Shahram 43242022/11/10 03:04
by Shahram
shift in Kohn-Sham potential while calculating work functionRishabh Sharma22122022/11/08 21:43
by Rishabh Sharma
Band unfolding of heterojunctionXinliang Huang12012022/11/08 13:25
by Chi-Cheng Lee
core dumped in the exchange coupling calculation (Jx) for cluster systemHEMANT ARORA32102022/11/01 23:42
by T. Ozaki
Bandstructure within energy rangeAnshu Gaur11832022/11/01 23:37
by T. Ozaki
Finished: Mentainance of the OpenMX websiteT. Ozaki01702022/10/31 01:15
by T. Ozaki
Error in MLWF calculated :rejectedAdantion22832022/10/21 13:54
by Adantion

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