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Topics Author Replies Views Last Modified
problem in DOS calculationmaedeh14072022/04/02 21:07
by Mehdi Vejdanihemmat
overlap and Hamiltonian matrix elements in the MLWF basisWei Li13752022/04/01 12:20
by Naoya Yamaguchi
Check symmetry breaking under influence of SOI and/or electric chargeBagus24542022/03/27 22:15
by Bagus
Problem contains processor column with zero widthWei Li23512022/03/20 03:46
by Wei Li
non collinear variable cell relaxation Gurung03262022/03/04 15:41
by Gurung
Error code in running GGA-PBE+UVipin Kumar14322022/03/01 12:48
by Naoya Yamaguchi
Parameters for running large systemsMChen45552022/02/28 14:09
by Gurung
Format of <seedname>.Band File and Spin Texture CalculationKieran217522022/02/26 13:23
by Naoya Yamaguchi
non collinear calculations in openmxGurung33912022/02/26 12:34
by Gurung
About the dipole moment in SrTiO3Gurung24772022/02/24 01:10
by Gurung
Incorrect Bloch phase factor?Malone34112022/02/22 09:01
by Malone
kSpin gives incorrect eigenvaluesShunsuke Yoshizawa23662022/02/18 19:14
by Shunsuke Yoshizawa
Segmentation fault (core dumped)Vipin Kumar04702022/02/17 19:30
by Vipin Kumar
Problem with unfolding the band structure of 9x9 supercellArtem Tarasov34492022/02/14 18:38
by Naoya Yamaguchi
spin orbit interaction Ali13942022/02/10 05:52
by Ali
optimization problem for amorphous SiO2 greenishfu03782022/02/08 01:47
by greenishfu
band structurereza majidinia03922022/02/04 16:47
by reza majidinia
scf.EigenvalueSolver tag in input filePavel Chirkov14132022/01/30 17:28
by Naoya Yamaguchi
OPENMX 3.9 : Error Installation Arif Lukmantoro26282022/01/26 17:48
by Arif Lukmantoro
How to reduce memory usage for very large systems?Chong Wang45422022/01/25 12:29
by Naoya Yamaguchi
Problems in structure optimization of a slab systemHiroaki Tanaka34102022/01/21 12:37
by Hiroaki Tanaka
too short distance between atoms warningJack74402022/01/20 19:34
by Naoya Yamaguchi
Delta FactorVejdani23872022/01/18 06:44
by Mehdi Vejdanihemmat
NEGF: transmission, conductance and currentAnshu Gaur04302022/01/17 14:59
by Anshu Gaur
Geometry optimization and MD calculationsJohn03862022/01/16 19:57
by John
Slow DM step with OpenMP parallelizationPavel Ondracka43692022/01/14 18:51
by Naoya Yamaguchi
memory increasing as MD steps increase and the version issue on itKunihiro Yananose59222022/01/11 16:19
by Kunihiro Yananose
OpenMX 3.9 installationMohammad44482022/01/10 03:22
by Mohammad
Could not find ../DFT_DATA19/VPS/Gd_PBE19.vpsKylin34592022/01/09 00:42
by Naoya Yamaguchi
the band structure of 4H-SiCQi Wang54952022/01/08 02:12
by Naoya Yamaguchi
Outputting cube-file for specific Molecular OrbitalKelvin Anggara13852021/12/30 13:37
by Naoya Yamaguchi
eigen valuemaedeh34762021/12/28 20:28
by Naoya Yamaguchi
some questionszhou chao13592021/12/28 12:22
by Naoya Yamaguchi
band gap accuracyAli14222021/12/27 16:06
by Pavel Ondracka
OpenMx 3.9 installation issueGilad Gani86512021/12/23 18:45
by Gilad Gani
atmic stressK.Suzuki03922021/12/22 17:51
by K.Suzuki
Determination of atomic energy and stressS.Sato13792021/12/15 19:07
by Naoya Yamaguchi
How can we determine fermi level from HS.out and PAO/VPS informationPES217i14452021/12/14 11:55
by Naoya Yamaguchi
Inconsistent lattice Ana13862021/12/11 16:31
by Naoya Yamaguchi
Gate potentialSamuel Dechamps04132021/12/07 00:23
by Samuel Dechamps
Two questions about PDOS calculation of CoO.K.Usami35992021/12/05 00:21
by K.Usami
problem in OpenMX interface with BoltzTraP zeinab moradi98092021/11/26 10:58
by Masanobu Miyata
Openmx - BoltzTrap2Alejandro Leon14352021/11/26 10:52
by Masanobu Miyata
STM by WSxMVipin Kumar45972021/11/22 18:48
by Naoya Yamaguchi
Error Message from the Installation of OpenMXKieran96632021/11/20 13:49
by Naoya Yamaguchi
A trouble with generation of restart fileTakuma Takeda25032021/11/15 23:01
by Takuma Takeda
undefined reference to `Set_XC_NL1_Grid'Luca 25502021/11/15 22:53
by Luca
There is an error in the electron transport calculationZhipeng Huang76642021/11/09 17:03
by Zhipeng Huang
deb packages of OpenMXNaoya Yamaguchi24312021/11/08 17:36
by Naoya Yamaguchi
Linking fails with gcc 11.2.1 - multiple definition of many variablesPavel Ondracka048152021/11/08 16:31
by Pavel Ondracka

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