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Openmx 3.9 compilation sometimes freezes after "outputting data on grids to files..."Christopher62702020/05/14 15:23
by T. Ozaki
NEB calculation with lattice constant changeYuki S.12032020/05/14 15:10
by T. Ozaki
Problem about 'make DosMain'Liu Jie22872020/05/08 16:41
by Liu Jie
Constraint DFT for non-collinear spin orientation-problem in fixing spin orientationMaedeh22242020/04/27 20:06
by Maedeh
Changing of kpath and re-calculating.Victor32132020/04/25 02:33
by Victor
The definition for initial spin directionChong Wang52762020/04/24 13:37
by Chong Wang
Where in source code is the LCAO decomposition printed to .out file?P42102020/04/24 06:17
by P
Parameter setting for molecular dynamics(NVT_NH)cpniu12412020/04/23 14:55
by Naoya Yamaguchi
NEGF issuesLuca Sementa02752020/04/03 05:26
by Luca Sementa
OpenMX 3.9 ELPA MPI/OpenMP hybridPui Wai (Leo) Ma44002020/04/02 17:06
by Pui Wai (Leo) Ma
scf.Ngrid estimateLuca Sementa32482020/04/02 03:14
by Luca Sementa
Segmentation fault (signal 11)VictorS53452020/03/30 20:20
by VictorS
Euler AngleMahyar42922020/03/29 15:58
by Mahyar
Memory exhaustion by cell optimizationHikaru Sawahata22252020/03/28 23:15
by T. Ozaki
BerryFlux in slandered output file of calB Umar farooq63992020/03/28 20:13
by Hikaru Sawahata
PMPI_Comm_size: Invalid communicator, error Garret Wong34682020/03/27 11:40
by Garret Wong
Surface polarizationN.V.Hoi12302020/03/24 09:34
by T. Ozaki
Japanese Manual of OpenMX Ver. 3.9T. Ozaki02182020/03/21 17:47
by T. Ozaki
Error installing patch 3.9.2 Samuel Dechamps22452020/03/20 02:02
by Samuel Dechamps
Spin symbolF12142020/03/12 13:52
by Naoya Yamaguchi
calculation time for a small systemYongsheng Zhang42482020/03/09 09:56
by T. Ozaki
constraining magnetic fieldYun-Peng Wang32612020/03/09 09:54
by T. Ozaki
ASE-OPENMX for NEB calculationReza23112020/03/08 08:51
by T. Ozaki
scissors correction in the optics calculationsJian Zhou22132020/03/05 00:16
by Jian Zhou
Noisy output for sden.cube fileMaedeh52452020/03/04 17:02
by Maedeh
installation error OpenMX ver 3.9Maedeh8522232020/02/26 13:12
by Naoya Yamaguchi
How to read *.scfout file?Zafer Kandemir22942020/02/22 18:27
by Zafer Kandemir
Difference in the total charge density from ESM on4Alia Mejri12092020/02/22 00:01
by T. Ozaki
Fermi level is not set to zero noopur22812020/02/19 20:23
by T. Ozaki
Patch 3.9.2 to OpenMX Ver. 3.9T. Ozaki02722020/02/11 22:44
by T. Ozaki
NEGF convergence making loopVikash22662020/02/07 01:02
by T. Ozaki
Mailing list for the OpenMX ForumT. Ozaki02502020/02/06 23:09
by T. Ozaki
NEB simulationYuki Kamikawa22532020/01/30 21:00
by Yuki Kamikawa
NEB memory and parallel problemsReza62822020/01/29 00:41
by T. Ozaki
DosMain issue in metal-graphene heterostructures Samuel Dechamps12402020/01/25 13:51
by T. Ozaki
cygwin_exception::open_stackdumpfile: Dumping stackmasood222012020/01/22 02:05
by masood
core dumped in the exchange coupling calculation (Jx) for Mn12 Po-Hao 22992020/01/20 16:07
by Asako Terasawa
LzSz only spin-orbit coupling in collinear spin calculation?Asako Terasawa73862020/01/19 22:41
by Alireza Baradaran
Error in compiling openmx3.9Xiaoxiong26122020/01/18 16:31
by Xiaoxiong
Cannot finish the NEGF testrunK. Yamaguchi43792020/01/18 12:34
by T. Ozaki
error installation in openmx3.9Alireza Baradaran12472020/01/18 00:30
by Alireza Baradaran
Problem with jx in ver 3.9.1Zsolt53352020/01/17 11:29
by Asako Terasawa
Bad convergence for calculations with an electric field Chen12232020/01/16 13:35
by Po-Hao
NEGF zgetrf failed errormasood02152020/01/14 03:56
by masood
Error in installing openmx with intel mpi compiler and mkl Chen55132020/01/13 18:07
by Chen
NEGF Convergence problemVikash43632020/01/09 18:53
by Vikash
The convergence of RFC5Alisa12572020/01/02 15:51
by T. Ozaki
Patch 3.9.1 to OpenMX Ver. 3.9T. Ozaki02492020/01/02 15:40
by T. Ozaki
formate of seed_name.AtomMulP genrated by kSpinUmar farooq113842019/12/31 11:57
by Naoya Yamaguchi
NEGF calculation of OpenMX Ver 3.9Xingqiang SHI23032019/12/30 16:39
by Xingqiang SHI

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