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From AdministratorTaisuke Ozaki022132021/04/07 21:20
by Taisuke Ozaki
Issue enabling van der Waals correction in NEB calculations AY139041152025/10/31 15:16
by Naoya Yamaguchi
Regarding Intensity Map executable Vipin Kumar0132025/10/30 09:30
by Vipin Kumar
Nanotube makerKazume NISHIDATE0512025/10/13 15:00
by Kazume NISHIDATE
The correct optimization processAtefeh1862025/10/08 14:18
by Yung-Ting Lee
GPU-accelerated version OpenMX 3.9.9 is now availableHiroyuki Kawai06582025/09/09 09:58
by Hiroyuki Kawai
spin-polarized transmission with spin-orbit couplingdc35605882025/09/05 13:39
by dc356
psm3Kazume NISHIDATE05762025/09/05 07:51
by Kazume NISHIDATE
Monotony error on Output during OpenMX Molecular Dynamics calculationBin Shao16872025/08/26 22:30
by Kazume NISHIDATE
Energy decomposition from nonlocal pseudopotential partJiang Wang36512025/08/26 21:44
by Kazume NISHIDATE
the DFT+U and the SOC formalismKazume NISHIDATE46932025/08/21 19:18
by Kazume NISHIDATE
patch3.9.9 is corruptedMd Abdul Muntakim16822025/08/19 13:58
by Kazume NISHIDATE
Questions on <Unfolding.Map> and Compiler Compatibility FeedbackMaedeh26892025/08/02 01:40
by Maedeh
Total charge of an anion is different from idealHiroki Akutsu26772025/08/09 11:55
by Hiroki Akutsu
Specifications of OpenMX ViewerKinoshita47062025/07/31 18:21
by Kinoshita
About intraband transition in optical conductivity Yu Zhou26702025/07/30 23:48
by Yung-Ting Lee
The files dropped into OpenMX ViewerKinoshita26552025/07/31 09:27
by Kinoshita
Procedure to contribute to OpenMX source codejekk06592025/07/30 03:20
by jekk
The impact of different basis sets on Jij (jx-code)shiyc06662025/07/29 16:06
by shiyc
Atomic resolved band energy and atomic resolved magnetic anisotropy FePt  Xubo Liu17352025/07/29 02:23
by Xubo Liu
BgGKrzysztof 06592025/07/28 20:24
by Krzysztof
Optical Conductivity with SOCXueheng Kuang16822025/07/24 13:46
by Yung-Ting Lee
OpenMX4Kelvin A313422025/07/05 13:57
by W. X. Ji
Unconventional absorption energy obtaineddena28042025/07/01 19:04
by dena
Assignment orbital number and dirrection in a PDOS output.TAKUMA TAKEDA06502025/07/01 15:20
by TAKUMA TAKEDA
My process was killed when I investigate YIG with 160 atomsLZQ17082025/06/26 23:48
by Aleksey
How are the settings of dftd?dena07002025/06/10 22:48
by dena
How are the settings of dftd?dena18292025/06/02 21:11
by dena
Convergence Behavior of Spin Moments in Noncollinear Magnetic Order. ~ energycutoff and Kgrid ~Soichiro Kikuchi08172025/06/02 16:52
by Soichiro Kikuchi
Build openmx-3.962 with AOCC compiler errorhlajungo39342025/05/04 17:00
by kylin
Total energy reported in  the end  filedina08202025/04/18 18:45
by dina
Total energy reporteddina07952025/04/18 18:36
by dina
Different cutoff radius for each basis functionDaniel Pozsar08592025/04/15 00:04
by Daniel Pozsar
Electric filed in Heterostructure SlabMd Aktar Hossain08052025/04/05 15:48
by Md Aktar Hossain
Error with the NEGF CalculationKieran08032025/04/05 12:35
by Kieran
Errors about the the integration range and the atom coordinatesKieran07972025/04/03 00:03
by Kieran
Error occurs when running scfTieyuan Bian28252025/04/02 18:42
by Naoya Yamaguchi
Core-Hole Pseudo Cu 2pLuca Sementa08112025/03/25 01:59
by Luca Sementa
How to compute the retarded green function with the non-orthogonal-basis HamiltonianKieran18742025/03/11 22:13
by T. Ozaki
OpenMX installation (library in cluster machine)Amal88722025/03/03 19:39
by Amal
Install openMX3.9 on Ubuntu24Roya18702025/03/03 13:54
by Naoya Yamaguchi
How to use BoltzTrap2 interface with OpenMx Dr Santu18982025/02/28 19:44
by Masanobu Miyata
Help with Spin-Resolved Band Structure in Non-Collinear CaseMd Aktar Hossain18362025/02/27 21:54
by Naoya Yamaguchi
order on oprbitals in the density matrixLokamani17972025/02/18 13:54
by Lokamani
Problem with Pseudopotential Creation for F Atom containing 1s orbital in ADPACKEnomoto48392025/02/10 08:58
by Enomoto
How to use Mulliken charging data?dena28322025/02/09 02:14
by dena
Glycine optimizationdena88852025/02/07 14:44
by dena
Calculation of XPS absolute BE on surface slabHarry48962025/02/06 17:58
by Harry
Problem in optimizing the absorption atefeh89042025/02/03 16:48
by atefeh
How to use?&#1563;Automatic determination of the cell size&#1563;dena28172025/02/03 15:39
by dena

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