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Topics Author Replies Views Last Modified
the band structure of 4H-SiCQi Wang51202022/01/08 02:12
by Naoya Yamaguchi
Outputting cube-file for specific Molecular OrbitalKelvin Anggara11152021/12/30 13:37
by Naoya Yamaguchi
eigen valuemaedeh31372021/12/28 20:28
by Naoya Yamaguchi
some questionszhou chao11142021/12/28 12:22
by Naoya Yamaguchi
band gap accuracyAli11372021/12/27 16:06
by Pavel Ondracka
OpenMx 3.9 installation issueGilad Gani81722021/12/23 18:45
by Gilad Gani
atmic stressK.Suzuki01142021/12/22 17:51
by K.Suzuki
Determination of atomic energy and stressS.Sato11082021/12/15 19:07
by Naoya Yamaguchi
How can we determine fermi level from HS.out and PAO/VPS informationPES217i11242021/12/14 11:55
by Naoya Yamaguchi
Inconsistent lattice Ana11182021/12/11 16:31
by Naoya Yamaguchi
Gate potentialSamuel Dechamps01252021/12/07 00:23
by Samuel Dechamps
Two questions about PDOS calculation of CoO.K.Usami31732021/12/05 00:21
by K.Usami
problem in OpenMX interface with BoltzTraP zeinab moradi94682021/11/26 10:58
by Masanobu Miyata
Openmx - BoltzTrap2Alejandro Leon11412021/11/26 10:52
by Masanobu Miyata
STM by WSxMVipin Kumar41452021/11/22 18:48
by Naoya Yamaguchi
Error Message from the Installation of OpenMXKieran91932021/11/20 13:49
by Naoya Yamaguchi
A trouble with generation of restart fileTakuma Takeda21642021/11/15 23:01
by Takuma Takeda
undefined reference to `Set_XC_NL1_Grid'Luca 21482021/11/15 22:53
by Luca
There is an error in the electron transport calculationZhipeng Huang73222021/11/09 17:03
by Zhipeng Huang
deb packages of OpenMXNaoya Yamaguchi21682021/11/08 17:36
by Naoya Yamaguchi
Linking fails with gcc 11.2.1 - multiple definition of many variablesPavel Ondracka03472021/11/08 16:31
by Pavel Ondracka
gcube2oned for a cube file including spaces in comment linesNaoya Yamaguchi01212021/11/08 00:11
by Naoya Yamaguchi
About obtaining PDOS by hybridized orbitalsTakuma Takeda21602021/11/07 20:10
by Takuma Takeda
openmx3.9 mpi errordavidshisui11882021/11/07 14:37
by Naoya Yamaguchi
Thermostat issues when simulating surface bombardmentPavel Ondračka01152021/11/04 23:26
by Pavel Ondračka
openmx on Debian BullseyeH.Ueda51722021/11/04 17:59
by H.Ueda
OpenMx3.9.9 install problem TSUTOMU HOSHINO11962021/11/04 01:20
by Naoya Yamaguchi
Some questions about MD.TimeStepZ21542021/10/30 18:59
by Z
calculation of hoppingmaedeh52162021/10/29 19:32
by maedeh
mpirun hangs indefinetly on multiple nodesP01152021/10/29 12:53
by P
The magnitude of the crystal field splittingK.Usami01412021/10/24 18:26
by K.Usami
On the model with shear strainS.Sato01352021/10/21 14:56
by S.Sato
Patch 3.9.3 to OpenMX Ver. 3.9T. Ozaki74162021/10/20 12:40
by Atsushi M. Ito
Energy decompositionJingyang Wang11762021/10/17 21:50
by T. Ozaki
How to put strain on a materialS.Sato11702021/10/15 11:53
by Naoya Yamaguchi
How to calculate eigenstates from HS.outPES217i63032021/10/06 14:44
by Naoya Yamaguchi
Able to make VPS with adpack (no segmentation fault)Malone01762021/09/23 22:52
by Malone
Restarting NEB calculation changes coordinate unitHisashi Higuchi31782021/09/23 12:31
by Hisashi Higuchi
Installation error openmx 3.9Vipin Kumar134262021/09/22 21:07
by Naoya Yamaguchi
How to calculate the melting point of a compound using the MD simulations?Xuemei Zhang11692021/09/18 11:12
by T. Ozaki
Installation of OpenMX Ver. 3.9 on Ubuntu 18.04.4 LTS on WSL on Windows 10 (64bit)T. Ozaki112442021/08/29 10:52
by T. Ozaki
The result of runtestK. Yamaguchi42992021/08/23 09:12
by K. Yamaguchi
OpenMx-3.9 : segmentation fault at runtime with gcc-9Deepali Rai33342021/08/18 20:20
by Deepali Rai
Compilation advice on 5950x AMD RyzenZsolt13462021/08/15 10:44
by T. Ozaki
bug in patch3.9.4Jhon González32732021/08/15 10:39
by T. Ozaki
orbital order in HS.outRK12372021/08/12 19:40
by Naoya Yamaguchi
Problems with NH MD and multiple continuation runsPavel Ondracka31962021/08/08 06:40
by T. Ozaki
Instability of a function Band_DFT_NonCol in the case of GCCNaoya Yamaguchi12262021/08/07 12:06
by T. Ozaki
Problems with MD restart and rmm-diisvPavel Ondracka32002021/08/04 21:44
by T. Ozaki
Can we calculate only overlap matrix without SCF calculation?RK32112021/08/02 20:22
by Naoya Yamaguchi

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