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Topics Author Replies Views Last Modified
too short distance between atoms warningJack79602022/01/20 19:34
by Naoya Yamaguchi
Delta FactorVejdani27662022/01/18 06:44
by Mehdi Vejdanihemmat
NEGF: transmission, conductance and currentAnshu Gaur08472022/01/17 14:59
by Anshu Gaur
Geometry optimization and MD calculationsJohn07652022/01/16 19:57
by John
Slow DM step with OpenMP parallelizationPavel Ondracka47892022/01/14 18:51
by Naoya Yamaguchi
memory increasing as MD steps increase and the version issue on itKunihiro Yananose514232022/01/11 16:19
by Kunihiro Yananose
OpenMX 3.9 installationMohammad410262022/01/10 03:22
by Mohammad
Could not find ../DFT_DATA19/VPS/Gd_PBE19.vpsKylin39702022/01/09 00:42
by Naoya Yamaguchi
the band structure of 4H-SiCQi Wang510232022/01/08 02:12
by Naoya Yamaguchi
Outputting cube-file for specific Molecular OrbitalKelvin Anggara17692021/12/30 13:37
by Naoya Yamaguchi
eigen valuemaedeh39002021/12/28 20:28
by Naoya Yamaguchi
some questionszhou chao16912021/12/28 12:22
by Naoya Yamaguchi
band gap accuracyAli18172021/12/27 16:06
by Pavel Ondracka
OpenMx 3.9 installation issueGilad Gani812162021/12/23 18:45
by Gilad Gani
atmic stressK.Suzuki07482021/12/22 17:51
by K.Suzuki
Determination of atomic energy and stressS.Sato17292021/12/15 19:07
by Naoya Yamaguchi
How can we determine fermi level from HS.out and PAO/VPS informationPES217i18782021/12/14 11:55
by Naoya Yamaguchi
Inconsistent lattice Ana17102021/12/11 16:31
by Naoya Yamaguchi
Gate potentialSamuel Dechamps07502021/12/07 00:23
by Samuel Dechamps
Two questions about PDOS calculation of CoO.K.Usami310872021/12/05 00:21
by K.Usami
problem in OpenMX interface with BoltzTraP zeinab moradi912752021/11/26 10:58
by Masanobu Miyata
Openmx - BoltzTrap2Alejandro Leon17952021/11/26 10:52
by Masanobu Miyata
STM by WSxMVipin Kumar416072021/11/22 18:48
by Naoya Yamaguchi
Error Message from the Installation of OpenMXKieran912562021/11/20 13:49
by Naoya Yamaguchi
A trouble with generation of restart fileTakuma Takeda210872021/11/15 23:01
by Takuma Takeda
undefined reference to `Set_XC_NL1_Grid'Luca 210522021/11/15 22:53
by Luca
There is an error in the electron transport calculationZhipeng Huang710212021/11/09 17:03
by Zhipeng Huang
deb packages of OpenMXNaoya Yamaguchi28632021/11/08 17:36
by Naoya Yamaguchi
Linking fails with gcc 11.2.1 - multiple definition of many variablesPavel Ondracka079632021/11/08 16:31
by Pavel Ondracka
gcube2oned for a cube file including spaces in comment linesNaoya Yamaguchi07862021/11/08 00:11
by Naoya Yamaguchi
About obtaining PDOS by hybridized orbitalsTakuma Takeda211452021/11/07 20:10
by Takuma Takeda
openmx3.9 mpi errordavidshisui18712021/11/07 14:37
by Naoya Yamaguchi
Thermostat issues when simulating surface bombardmentPavel Ondračka06882021/11/04 23:26
by Pavel Ondračka
openmx on Debian BullseyeH.Ueda510002021/11/04 17:59
by H.Ueda
OpenMx3.9.9 install problem TSUTOMU HOSHINO110312021/11/04 01:20
by Naoya Yamaguchi
Some questions about MD.TimeStepZ28442021/10/30 18:59
by Z
calculation of hoppingmaedeh59362021/10/29 19:32
by maedeh
mpirun hangs indefinetly on multiple nodesP07772021/10/29 12:53
by P
The magnitude of the crystal field splittingK.Usami07602021/10/24 18:26
by K.Usami
On the model with shear strainS.Sato07062021/10/21 14:56
by S.Sato
Patch 3.9.3 to OpenMX Ver. 3.9T. Ozaki712162021/10/20 12:40
by Atsushi M. Ito
Energy decompositionJingyang Wang113612021/10/17 21:50
by T. Ozaki
How to put strain on a materialS.Sato18282021/10/15 11:53
by Naoya Yamaguchi
How to calculate eigenstates from HS.outPES217i611962021/10/06 14:44
by Naoya Yamaguchi
Able to make VPS with adpack (no segmentation fault)Malone08512021/09/23 22:52
by Malone
Restarting NEB calculation changes coordinate unitHisashi Higuchi37602021/09/23 12:31
by Hisashi Higuchi
Installation error openmx 3.9Vipin Kumar1326392021/09/22 21:07
by Naoya Yamaguchi
How to calculate the melting point of a compound using the MD simulations?Xuemei Zhang19402021/09/18 11:12
by T. Ozaki
Installation of OpenMX Ver. 3.9 on Ubuntu 18.04.4 LTS on WSL on Windows 10 (64bit)T. Ozaki151792021/08/29 10:52
by T. Ozaki
The result of runtestK. Yamaguchi411062021/08/23 09:12
by K. Yamaguchi

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