OpenMX Forum
New Thread | Return Home | Mailing List | Points of Concern | Search | Past Log | Administration    

List of Threads

Topics Author Replies Views Last Modified
Outputting cube-file for specific Molecular OrbitalKelvin Anggara17102021/12/30 13:37
by Naoya Yamaguchi
eigen valuemaedeh38202021/12/28 20:28
by Naoya Yamaguchi
some questionszhou chao16452021/12/28 12:22
by Naoya Yamaguchi
band gap accuracyAli17482021/12/27 16:06
by Pavel Ondracka
OpenMx 3.9 installation issueGilad Gani811312021/12/23 18:45
by Gilad Gani
atmic stressK.Suzuki06922021/12/22 17:51
by K.Suzuki
Determination of atomic energy and stressS.Sato16702021/12/15 19:07
by Naoya Yamaguchi
How can we determine fermi level from HS.out and PAO/VPS informationPES217i18092021/12/14 11:55
by Naoya Yamaguchi
Inconsistent lattice Ana16602021/12/11 16:31
by Naoya Yamaguchi
Gate potentialSamuel Dechamps06992021/12/07 00:23
by Samuel Dechamps
Two questions about PDOS calculation of CoO.K.Usami310052021/12/05 00:21
by K.Usami
problem in OpenMX interface with BoltzTraP zeinab moradi911992021/11/26 10:58
by Masanobu Miyata
Openmx - BoltzTrap2Alejandro Leon17502021/11/26 10:52
by Masanobu Miyata
STM by WSxMVipin Kumar414112021/11/22 18:48
by Naoya Yamaguchi
Error Message from the Installation of OpenMXKieran911692021/11/20 13:49
by Naoya Yamaguchi
A trouble with generation of restart fileTakuma Takeda29822021/11/15 23:01
by Takuma Takeda
undefined reference to `Set_XC_NL1_Grid'Luca 29972021/11/15 22:53
by Luca
There is an error in the electron transport calculationZhipeng Huang79742021/11/09 17:03
by Zhipeng Huang
deb packages of OpenMXNaoya Yamaguchi27932021/11/08 17:36
by Naoya Yamaguchi
Linking fails with gcc 11.2.1 - multiple definition of many variablesPavel Ondracka074682021/11/08 16:31
by Pavel Ondracka
gcube2oned for a cube file including spaces in comment linesNaoya Yamaguchi07232021/11/08 00:11
by Naoya Yamaguchi
About obtaining PDOS by hybridized orbitalsTakuma Takeda210192021/11/07 20:10
by Takuma Takeda
openmx3.9 mpi errordavidshisui18192021/11/07 14:37
by Naoya Yamaguchi
Thermostat issues when simulating surface bombardmentPavel Ondračka06312021/11/04 23:26
by Pavel Ondračka
openmx on Debian BullseyeH.Ueda59182021/11/04 17:59
by H.Ueda
OpenMx3.9.9 install problem TSUTOMU HOSHINO19792021/11/04 01:20
by Naoya Yamaguchi
Some questions about MD.TimeStepZ27702021/10/30 18:59
by Z
calculation of hoppingmaedeh58802021/10/29 19:32
by maedeh
mpirun hangs indefinetly on multiple nodesP07082021/10/29 12:53
by P
The magnitude of the crystal field splittingK.Usami07062021/10/24 18:26
by K.Usami
On the model with shear strainS.Sato06522021/10/21 14:56
by S.Sato
Patch 3.9.3 to OpenMX Ver. 3.9T. Ozaki711442021/10/20 12:40
by Atsushi M. Ito
Energy decompositionJingyang Wang113042021/10/17 21:50
by T. Ozaki
How to put strain on a materialS.Sato17692021/10/15 11:53
by Naoya Yamaguchi
How to calculate eigenstates from HS.outPES217i610932021/10/06 14:44
by Naoya Yamaguchi
Able to make VPS with adpack (no segmentation fault)Malone07992021/09/23 22:52
by Malone
Restarting NEB calculation changes coordinate unitHisashi Higuchi37072021/09/23 12:31
by Hisashi Higuchi
Installation error openmx 3.9Vipin Kumar1323732021/09/22 21:07
by Naoya Yamaguchi
How to calculate the melting point of a compound using the MD simulations?Xuemei Zhang18712021/09/18 11:12
by T. Ozaki
Installation of OpenMX Ver. 3.9 on Ubuntu 18.04.4 LTS on WSL on Windows 10 (64bit)T. Ozaki148582021/08/29 10:52
by T. Ozaki
The result of runtestK. Yamaguchi410422021/08/23 09:12
by K. Yamaguchi
OpenMx-3.9 : segmentation fault at runtime with gcc-9Deepali Rai314842021/08/18 20:20
by Deepali Rai
Compilation advice on 5950x AMD RyzenZsolt112342021/08/15 10:44
by T. Ozaki
bug in patch3.9.4Jhon González39512021/08/15 10:39
by T. Ozaki
orbital order in HS.outRK110142021/08/12 19:40
by Naoya Yamaguchi
Problems with NH MD and multiple continuation runsPavel Ondracka39562021/08/08 06:40
by T. Ozaki
Instability of a function Band_DFT_NonCol in the case of GCCNaoya Yamaguchi18522021/08/07 12:06
by T. Ozaki
Problems with MD restart and rmm-diisvPavel Ondracka38232021/08/04 21:44
by T. Ozaki
Can we calculate only overlap matrix without SCF calculation?RK39742021/08/02 20:22
by Naoya Yamaguchi
Spi-orbit couplingArtem Pulkin111882021/08/01 11:48
by T. Ozaki

Page: [1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [13] [14] [15] [16] [17] [18] [19] [20] [21] [22] [23] [24] [25] [26] [27] [28] [29] [30] [31] [32]


Open Thread    Locked Thread    Alarm(More than 900 replies)   Message from Administrator


- Web Patio -