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Topics Author Replies Views Last Modified
Problems in structure optimization of a slab systemHiroaki Tanaka31992022/01/21 12:37
by Hiroaki Tanaka
too short distance between atoms warningJack72112022/01/20 19:34
by Naoya Yamaguchi
Delta FactorVejdani21792022/01/18 06:44
by Mehdi Vejdanihemmat
NEGF: transmission, conductance and currentAnshu Gaur02092022/01/17 14:59
by Anshu Gaur
Geometry optimization and MD calculationsJohn01832022/01/16 19:57
by John
Slow DM step with OpenMP parallelizationPavel Ondracka41762022/01/14 18:51
by Naoya Yamaguchi
memory increasing as MD steps increase and the version issue on itKunihiro Yananose56022022/01/11 16:19
by Kunihiro Yananose
OpenMX 3.9 installationMohammad42272022/01/10 03:22
by Mohammad
Could not find ../DFT_DATA19/VPS/Gd_PBE19.vpsKylin32342022/01/09 00:42
by Naoya Yamaguchi
the band structure of 4H-SiCQi Wang52342022/01/08 02:12
by Naoya Yamaguchi
Outputting cube-file for specific Molecular OrbitalKelvin Anggara11982021/12/30 13:37
by Naoya Yamaguchi
eigen valuemaedeh32412021/12/28 20:28
by Naoya Yamaguchi
some questionszhou chao11812021/12/28 12:22
by Naoya Yamaguchi
band gap accuracyAli12182021/12/27 16:06
by Pavel Ondracka
OpenMx 3.9 installation issueGilad Gani83152021/12/23 18:45
by Gilad Gani
atmic stressK.Suzuki01942021/12/22 17:51
by K.Suzuki
Determination of atomic energy and stressS.Sato11862021/12/15 19:07
by Naoya Yamaguchi
How can we determine fermi level from HS.out and PAO/VPS informationPES217i12182021/12/14 11:55
by Naoya Yamaguchi
Inconsistent lattice Ana11932021/12/11 16:31
by Naoya Yamaguchi
Gate potentialSamuel Dechamps02142021/12/07 00:23
by Samuel Dechamps
Two questions about PDOS calculation of CoO.K.Usami32442021/12/05 00:21
by K.Usami
problem in OpenMX interface with BoltzTraP zeinab moradi95772021/11/26 10:58
by Masanobu Miyata
Openmx - BoltzTrap2Alejandro Leon12342021/11/26 10:52
by Masanobu Miyata
STM by WSxMVipin Kumar42442021/11/22 18:48
by Naoya Yamaguchi
Error Message from the Installation of OpenMXKieran92992021/11/20 13:49
by Naoya Yamaguchi
A trouble with generation of restart fileTakuma Takeda22622021/11/15 23:01
by Takuma Takeda
undefined reference to `Set_XC_NL1_Grid'Luca 22852021/11/15 22:53
by Luca
There is an error in the electron transport calculationZhipeng Huang74082021/11/09 17:03
by Zhipeng Huang
deb packages of OpenMXNaoya Yamaguchi22462021/11/08 17:36
by Naoya Yamaguchi
Linking fails with gcc 11.2.1 - multiple definition of many variablesPavel Ondracka016162021/11/08 16:31
by Pavel Ondracka
gcube2oned for a cube file including spaces in comment linesNaoya Yamaguchi01932021/11/08 00:11
by Naoya Yamaguchi
About obtaining PDOS by hybridized orbitalsTakuma Takeda22852021/11/07 20:10
by Takuma Takeda
openmx3.9 mpi errordavidshisui12702021/11/07 14:37
by Naoya Yamaguchi
Thermostat issues when simulating surface bombardmentPavel Ondračka01792021/11/04 23:26
by Pavel Ondračka
openmx on Debian BullseyeH.Ueda52692021/11/04 17:59
by H.Ueda
OpenMx3.9.9 install problem TSUTOMU HOSHINO12862021/11/04 01:20
by Naoya Yamaguchi
Some questions about MD.TimeStepZ22292021/10/30 18:59
by Z
calculation of hoppingmaedeh53332021/10/29 19:32
by maedeh
mpirun hangs indefinetly on multiple nodesP01822021/10/29 12:53
by P
The magnitude of the crystal field splittingK.Usami02062021/10/24 18:26
by K.Usami
On the model with shear strainS.Sato02002021/10/21 14:56
by S.Sato
Patch 3.9.3 to OpenMX Ver. 3.9T. Ozaki75042021/10/20 12:40
by Atsushi M. Ito
Energy decompositionJingyang Wang12642021/10/17 21:50
by T. Ozaki
How to put strain on a materialS.Sato12612021/10/15 11:53
by Naoya Yamaguchi
How to calculate eigenstates from HS.outPES217i63942021/10/06 14:44
by Naoya Yamaguchi
Able to make VPS with adpack (no segmentation fault)Malone02572021/09/23 22:52
by Malone
Restarting NEB calculation changes coordinate unitHisashi Higuchi32392021/09/23 12:31
by Hisashi Higuchi
Installation error openmx 3.9Vipin Kumar136472021/09/22 21:07
by Naoya Yamaguchi
How to calculate the melting point of a compound using the MD simulations?Xuemei Zhang12542021/09/18 11:12
by T. Ozaki
Installation of OpenMX Ver. 3.9 on Ubuntu 18.04.4 LTS on WSL on Windows 10 (64bit)T. Ozaki118592021/08/29 10:52
by T. Ozaki

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