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OPENMX 3.9 : Error Installation Arif Lukmantoro27622022/01/26 17:48
by Arif Lukmantoro
How to reduce memory usage for very large systems?Chong Wang47162022/01/25 12:29
by Naoya Yamaguchi
Problems in structure optimization of a slab systemHiroaki Tanaka35342022/01/21 12:37
by Hiroaki Tanaka
too short distance between atoms warningJack76312022/01/20 19:34
by Naoya Yamaguchi
Delta FactorVejdani25142022/01/18 06:44
by Mehdi Vejdanihemmat
NEGF: transmission, conductance and currentAnshu Gaur05672022/01/17 14:59
by Anshu Gaur
Geometry optimization and MD calculationsJohn05072022/01/16 19:57
by John
Slow DM step with OpenMP parallelizationPavel Ondracka44912022/01/14 18:51
by Naoya Yamaguchi
memory increasing as MD steps increase and the version issue on itKunihiro Yananose511062022/01/11 16:19
by Kunihiro Yananose
OpenMX 3.9 installationMohammad46052022/01/10 03:22
by Mohammad
Could not find ../DFT_DATA19/VPS/Gd_PBE19.vpsKylin36412022/01/09 00:42
by Naoya Yamaguchi
the band structure of 4H-SiCQi Wang56522022/01/08 02:12
by Naoya Yamaguchi
Outputting cube-file for specific Molecular OrbitalKelvin Anggara15172021/12/30 13:37
by Naoya Yamaguchi
eigen valuemaedeh35972021/12/28 20:28
by Naoya Yamaguchi
some questionszhou chao14552021/12/28 12:22
by Naoya Yamaguchi
band gap accuracyAli15392021/12/27 16:06
by Pavel Ondracka
OpenMx 3.9 installation issueGilad Gani88632021/12/23 18:45
by Gilad Gani
atmic stressK.Suzuki04982021/12/22 17:51
by K.Suzuki
Determination of atomic energy and stressS.Sato14892021/12/15 19:07
by Naoya Yamaguchi
How can we determine fermi level from HS.out and PAO/VPS informationPES217i15822021/12/14 11:55
by Naoya Yamaguchi
Inconsistent lattice Ana14802021/12/11 16:31
by Naoya Yamaguchi
Gate potentialSamuel Dechamps05192021/12/07 00:23
by Samuel Dechamps
Two questions about PDOS calculation of CoO.K.Usami37562021/12/05 00:21
by K.Usami
problem in OpenMX interface with BoltzTraP zeinab moradi99662021/11/26 10:58
by Masanobu Miyata
Openmx - BoltzTrap2Alejandro Leon15652021/11/26 10:52
by Masanobu Miyata
STM by WSxMVipin Kumar49562021/11/22 18:48
by Naoya Yamaguchi
Error Message from the Installation of OpenMXKieran98702021/11/20 13:49
by Naoya Yamaguchi
A trouble with generation of restart fileTakuma Takeda26842021/11/15 23:01
by Takuma Takeda
undefined reference to `Set_XC_NL1_Grid'Luca 27432021/11/15 22:53
by Luca
There is an error in the electron transport calculationZhipeng Huang77702021/11/09 17:03
by Zhipeng Huang
deb packages of OpenMXNaoya Yamaguchi25542021/11/08 17:36
by Naoya Yamaguchi
Linking fails with gcc 11.2.1 - multiple definition of many variablesPavel Ondracka060542021/11/08 16:31
by Pavel Ondracka
gcube2oned for a cube file including spaces in comment linesNaoya Yamaguchi05072021/11/08 00:11
by Naoya Yamaguchi
About obtaining PDOS by hybridized orbitalsTakuma Takeda27442021/11/07 20:10
by Takuma Takeda
openmx3.9 mpi errordavidshisui16182021/11/07 14:37
by Naoya Yamaguchi
Thermostat issues when simulating surface bombardmentPavel Ondračka04462021/11/04 23:26
by Pavel Ondračka
openmx on Debian BullseyeH.Ueda56732021/11/04 17:59
by H.Ueda
OpenMx3.9.9 install problem TSUTOMU HOSHINO17342021/11/04 01:20
by Naoya Yamaguchi
Some questions about MD.TimeStepZ25452021/10/30 18:59
by Z
calculation of hoppingmaedeh56722021/10/29 19:32
by maedeh
mpirun hangs indefinetly on multiple nodesP04652021/10/29 12:53
by P
The magnitude of the crystal field splittingK.Usami04842021/10/24 18:26
by K.Usami
On the model with shear strainS.Sato04602021/10/21 14:56
by S.Sato
Patch 3.9.3 to OpenMX Ver. 3.9T. Ozaki78752021/10/20 12:40
by Atsushi M. Ito
Energy decompositionJingyang Wang111072021/10/17 21:50
by T. Ozaki
How to put strain on a materialS.Sato15742021/10/15 11:53
by Naoya Yamaguchi
How to calculate eigenstates from HS.outPES217i68262021/10/06 14:44
by Naoya Yamaguchi
Able to make VPS with adpack (no segmentation fault)Malone05672021/09/23 22:52
by Malone
Restarting NEB calculation changes coordinate unitHisashi Higuchi35172021/09/23 12:31
by Hisashi Higuchi
Installation error openmx 3.9Vipin Kumar1317342021/09/22 21:07
by Naoya Yamaguchi

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