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Topics Author Replies Views Last Modified
Segmentation fault (core dumped)Vipin Kumar04592022/02/17 19:30
by Vipin Kumar
Problem with unfolding the band structure of 9x9 supercellArtem Tarasov34362022/02/14 18:38
by Naoya Yamaguchi
spin orbit interaction Ali13862022/02/10 05:52
by Ali
optimization problem for amorphous SiO2 greenishfu03712022/02/08 01:47
by greenishfu
band structurereza majidinia03842022/02/04 16:47
by reza majidinia
scf.EigenvalueSolver tag in input filePavel Chirkov13922022/01/30 17:28
by Naoya Yamaguchi
OPENMX 3.9 : Error Installation Arif Lukmantoro26192022/01/26 17:48
by Arif Lukmantoro
How to reduce memory usage for very large systems?Chong Wang45272022/01/25 12:29
by Naoya Yamaguchi
Problems in structure optimization of a slab systemHiroaki Tanaka34022022/01/21 12:37
by Hiroaki Tanaka
too short distance between atoms warningJack74252022/01/20 19:34
by Naoya Yamaguchi
Delta FactorVejdani23772022/01/18 06:44
by Mehdi Vejdanihemmat
NEGF: transmission, conductance and currentAnshu Gaur04232022/01/17 14:59
by Anshu Gaur
Geometry optimization and MD calculationsJohn03782022/01/16 19:57
by John
Slow DM step with OpenMP parallelizationPavel Ondracka43632022/01/14 18:51
by Naoya Yamaguchi
memory increasing as MD steps increase and the version issue on itKunihiro Yananose59122022/01/11 16:19
by Kunihiro Yananose
OpenMX 3.9 installationMohammad44382022/01/10 03:22
by Mohammad
Could not find ../DFT_DATA19/VPS/Gd_PBE19.vpsKylin34482022/01/09 00:42
by Naoya Yamaguchi
the band structure of 4H-SiCQi Wang54842022/01/08 02:12
by Naoya Yamaguchi
Outputting cube-file for specific Molecular OrbitalKelvin Anggara13782021/12/30 13:37
by Naoya Yamaguchi
eigen valuemaedeh34652021/12/28 20:28
by Naoya Yamaguchi
some questionszhou chao13532021/12/28 12:22
by Naoya Yamaguchi
band gap accuracyAli14162021/12/27 16:06
by Pavel Ondracka
OpenMx 3.9 installation issueGilad Gani86372021/12/23 18:45
by Gilad Gani
atmic stressK.Suzuki03822021/12/22 17:51
by K.Suzuki
Determination of atomic energy and stressS.Sato13742021/12/15 19:07
by Naoya Yamaguchi
How can we determine fermi level from HS.out and PAO/VPS informationPES217i14212021/12/14 11:55
by Naoya Yamaguchi
Inconsistent lattice Ana13782021/12/11 16:31
by Naoya Yamaguchi
Gate potentialSamuel Dechamps04052021/12/07 00:23
by Samuel Dechamps
Two questions about PDOS calculation of CoO.K.Usami35912021/12/05 00:21
by K.Usami
problem in OpenMX interface with BoltzTraP zeinab moradi98012021/11/26 10:58
by Masanobu Miyata
Openmx - BoltzTrap2Alejandro Leon14282021/11/26 10:52
by Masanobu Miyata
STM by WSxMVipin Kumar45772021/11/22 18:48
by Naoya Yamaguchi
Error Message from the Installation of OpenMXKieran96512021/11/20 13:49
by Naoya Yamaguchi
A trouble with generation of restart fileTakuma Takeda24972021/11/15 23:01
by Takuma Takeda
undefined reference to `Set_XC_NL1_Grid'Luca 25402021/11/15 22:53
by Luca
There is an error in the electron transport calculationZhipeng Huang76542021/11/09 17:03
by Zhipeng Huang
deb packages of OpenMXNaoya Yamaguchi24242021/11/08 17:36
by Naoya Yamaguchi
Linking fails with gcc 11.2.1 - multiple definition of many variablesPavel Ondracka046932021/11/08 16:31
by Pavel Ondracka
gcube2oned for a cube file including spaces in comment linesNaoya Yamaguchi03942021/11/08 00:11
by Naoya Yamaguchi
About obtaining PDOS by hybridized orbitalsTakuma Takeda25452021/11/07 20:10
by Takuma Takeda
openmx3.9 mpi errordavidshisui14992021/11/07 14:37
by Naoya Yamaguchi
Thermostat issues when simulating surface bombardmentPavel Ondračka03562021/11/04 23:26
by Pavel Ondračka
openmx on Debian BullseyeH.Ueda55052021/11/04 17:59
by H.Ueda
OpenMx3.9.9 install problem TSUTOMU HOSHINO15392021/11/04 01:20
by Naoya Yamaguchi
Some questions about MD.TimeStepZ24202021/10/30 18:59
by Z
calculation of hoppingmaedeh55412021/10/29 19:32
by maedeh
mpirun hangs indefinetly on multiple nodesP03392021/10/29 12:53
by P
The magnitude of the crystal field splittingK.Usami03682021/10/24 18:26
by K.Usami
On the model with shear strainS.Sato03472021/10/21 14:56
by S.Sato
Patch 3.9.3 to OpenMX Ver. 3.9T. Ozaki77322021/10/20 12:40
by Atsushi M. Ito

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