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Outputting cube-file for specific Molecular OrbitalKelvin Anggara16832021/12/30 13:37
by Naoya Yamaguchi
eigen valuemaedeh37822021/12/28 20:28
by Naoya Yamaguchi
some questionszhou chao16152021/12/28 12:22
by Naoya Yamaguchi
band gap accuracyAli17142021/12/27 16:06
by Pavel Ondracka
OpenMx 3.9 installation issueGilad Gani810972021/12/23 18:45
by Gilad Gani
atmic stressK.Suzuki06602021/12/22 17:51
by K.Suzuki
Determination of atomic energy and stressS.Sato16442021/12/15 19:07
by Naoya Yamaguchi
How can we determine fermi level from HS.out and PAO/VPS informationPES217i17702021/12/14 11:55
by Naoya Yamaguchi
Inconsistent lattice Ana16282021/12/11 16:31
by Naoya Yamaguchi
Gate potentialSamuel Dechamps06612021/12/07 00:23
by Samuel Dechamps
Two questions about PDOS calculation of CoO.K.Usami39712021/12/05 00:21
by K.Usami
problem in OpenMX interface with BoltzTraP zeinab moradi911632021/11/26 10:58
by Masanobu Miyata
Openmx - BoltzTrap2Alejandro Leon17192021/11/26 10:52
by Masanobu Miyata
STM by WSxMVipin Kumar413472021/11/22 18:48
by Naoya Yamaguchi
Error Message from the Installation of OpenMXKieran911222021/11/20 13:49
by Naoya Yamaguchi
A trouble with generation of restart fileTakuma Takeda29332021/11/15 23:01
by Takuma Takeda
undefined reference to `Set_XC_NL1_Grid'Luca 29602021/11/15 22:53
by Luca
There is an error in the electron transport calculationZhipeng Huang79402021/11/09 17:03
by Zhipeng Huang
deb packages of OpenMXNaoya Yamaguchi27542021/11/08 17:36
by Naoya Yamaguchi
Linking fails with gcc 11.2.1 - multiple definition of many variablesPavel Ondracka073612021/11/08 16:31
by Pavel Ondracka
gcube2oned for a cube file including spaces in comment linesNaoya Yamaguchi06842021/11/08 00:11
by Naoya Yamaguchi
About obtaining PDOS by hybridized orbitalsTakuma Takeda29792021/11/07 20:10
by Takuma Takeda
openmx3.9 mpi errordavidshisui17902021/11/07 14:37
by Naoya Yamaguchi
Thermostat issues when simulating surface bombardmentPavel Ondračka06002021/11/04 23:26
by Pavel Ondračka
openmx on Debian BullseyeH.Ueda58742021/11/04 17:59
by H.Ueda
OpenMx3.9.9 install problem TSUTOMU HOSHINO19462021/11/04 01:20
by Naoya Yamaguchi
Some questions about MD.TimeStepZ27322021/10/30 18:59
by Z
calculation of hoppingmaedeh58472021/10/29 19:32
by maedeh
mpirun hangs indefinetly on multiple nodesP06762021/10/29 12:53
by P
The magnitude of the crystal field splittingK.Usami06662021/10/24 18:26
by K.Usami
On the model with shear strainS.Sato06202021/10/21 14:56
by S.Sato
Patch 3.9.3 to OpenMX Ver. 3.9T. Ozaki711052021/10/20 12:40
by Atsushi M. Ito
Energy decompositionJingyang Wang112732021/10/17 21:50
by T. Ozaki
How to put strain on a materialS.Sato17432021/10/15 11:53
by Naoya Yamaguchi
How to calculate eigenstates from HS.outPES217i610502021/10/06 14:44
by Naoya Yamaguchi
Able to make VPS with adpack (no segmentation fault)Malone07602021/09/23 22:52
by Malone
Restarting NEB calculation changes coordinate unitHisashi Higuchi36702021/09/23 12:31
by Hisashi Higuchi
Installation error openmx 3.9Vipin Kumar1323022021/09/22 21:07
by Naoya Yamaguchi
How to calculate the melting point of a compound using the MD simulations?Xuemei Zhang18292021/09/18 11:12
by T. Ozaki
Installation of OpenMX Ver. 3.9 on Ubuntu 18.04.4 LTS on WSL on Windows 10 (64bit)T. Ozaki147522021/08/29 10:52
by T. Ozaki
The result of runtestK. Yamaguchi410022021/08/23 09:12
by K. Yamaguchi
OpenMx-3.9 : segmentation fault at runtime with gcc-9Deepali Rai314462021/08/18 20:20
by Deepali Rai
Compilation advice on 5950x AMD RyzenZsolt112012021/08/15 10:44
by T. Ozaki
bug in patch3.9.4Jhon González39102021/08/15 10:39
by T. Ozaki
orbital order in HS.outRK19682021/08/12 19:40
by Naoya Yamaguchi
Problems with NH MD and multiple continuation runsPavel Ondracka39152021/08/08 06:40
by T. Ozaki
Instability of a function Band_DFT_NonCol in the case of GCCNaoya Yamaguchi18122021/08/07 12:06
by T. Ozaki
Problems with MD restart and rmm-diisvPavel Ondracka37912021/08/04 21:44
by T. Ozaki
Can we calculate only overlap matrix without SCF calculation?RK39292021/08/02 20:22
by Naoya Yamaguchi
Spi-orbit couplingArtem Pulkin111642021/08/01 11:48
by T. Ozaki

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