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

List of Threads

Topics Author Replies Views Last Modified
Gaussian cube files and periodicitylzotti26862017/11/20 23:23
by lzotti
Z2 invariant/Chern numberPeter19182017/11/16 16:46
by Hikaru Sawahata
spin index for Kohn-Sham HamiltonianChen16932017/10/26 20:16
by Daniil
error message()Yukinori Sakamoto17662017/10/12 16:53
by Yukinori Sakamoto
clustersdeniz17292017/09/30 11:59
by T. Ozaki
atomic coordinatesMojtaba19712017/09/28 17:32
by Yung Ting Lee
Augment data in scfoutPeter Koval16912017/09/23 09:28
by T. Ozaki
cell stress and atomic stressYukinori Sakamoto17592017/09/07 17:05
by T. Ozaki
MD step update and mixing weight; specification or problem?Asako Terasawa58232017/09/07 17:01
by T. Ozaki
How to get charge distribution for large supercell?G.Banach27292017/08/25 04:35
by G.Banach
how to keep spin directiontata27382017/08/22 11:15
by T. Ozaki
restarttata57352017/08/17 18:22
by tata
How to calculate binding energy of a core level in bulksChuan-Lu Yang16692017/08/17 13:23
by T. Ozaki
mpich & openmpitata211332017/08/03 17:40
by tata
exchange couplingtata18162017/08/01 22:48
by T. Ozaki
OpenFFT non-orthogonal boxPui-Wai (Leo) Ma16722017/08/01 22:46
by T. Ozaki
Convergence problem?Asako Terasawa515242017/08/01 18:07
by Asako Terasawa
External pseudopotentials and large structuresDaniil1312412017/07/17 03:57
by Daniil
Dipole Moment CorrectionSomesh Bhattacharya18322017/07/15 00:11
by Christopher Latham
How to assign Hubbard U values to the two d basis orbitals of Fe atom (LDA+U)?Xiangyang Peng413832017/07/06 11:14
by Xiangyang Peng
about Charge doping ?Viet Hung Nguyen610332017/07/05 02:43
by Viet Hung Nguyen
unable to make VPS for C with adpack (segmentation fault) [CONFIRMED]Chris Latham1012072017/07/03 01:16
by Daniil
Simulating point chargesDaniil28122017/06/27 22:57
by Daniil
Density matrices for NC DFTDaniil710002017/06/27 22:40
by Daniil
Dft-negfJeffri19122017/06/27 14:27
by T. Ozaki
STM imagesDaniel Souza16452017/06/27 14:08
by T. Ozaki
Re: electron g factor [SOLVED]Chris Latham210892017/06/24 22:26
by Chris Latham
band vs. cluster methodstata28422017/06/24 21:51
by tata
ELPA OpenMP/MPIPui-Wai (Leo) Ma17662017/06/24 17:22
by T. Ozaki
What is the local y-axis in Wannier calculationsP17552017/06/24 17:05
by T. Ozaki
Electronic entropy appears to be missingChris Latham28282017/06/19 04:35
by Chris Latham
The variable cell optimization of Bi2Te3huiyuan geng712162017/06/18 20:38
by Chris Latham
cluster & band calculationstata310342017/06/18 18:41
by tata
negfAsad68752017/06/08 06:22
by Reza
Wrong Uele for periodic system with large basisDaniil47262017/06/05 21:13
by Daniil
what is the purpose of -Dxt3 in the makefile? [SOLVED]Chris Latham27032017/06/01 19:44
by Chris Latham
variable cell optimizationmosahar69162017/06/01 17:18
by mosahar
Significant mismatch between the bandgap values computed by bandstructure and Dos (Not solved ...)AM810232017/05/28 12:05
by T. Ozaki
Bessel expansion of PAO/VPSArtem Pulkin59902017/05/24 09:45
by T. Ozaki
Memcpy argument memory ranges overlap with MPICH2 (SOLVED)Kylin124672017/05/24 09:26
by T. Ozaki
Output format of the stress tensorPascal Bliem18722017/05/23 17:36
by Yung Ting Lee
Segmentation fault in _IO_vfprintf with large basisDaniil415602017/05/19 05:02
by Daniil
Compile openMX with Intel Compiler and ACML math libraryKylin411942017/05/18 11:09
by T. Ozaki
how to compare the energy calculated from openmx and vaspFrank Zhou111612017/05/18 09:27
by T. Ozaki
NEGF.tran.Kgridmmhs58362017/04/28 02:37
by mmhs
Phonon dispersion Fronquer311432017/04/25 07:27
by Kylin
polB SH18302017/04/22 00:42
by Naoya Yamaguchi
No current in NEGF calculationBill Guo710302017/04/20 13:20
by T. Ozaki
LCAO coefficients in real spherical harmonics, trasform into spherical harmonicsP47982017/04/20 13:10
by T. Ozaki
cell depictiontom.h17462017/04/12 18:18
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]


Open Thread    Locked Thread    Alarm(More than 180 replies)   Message from Administrator


- Web Patio -