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Topics Author Replies Views Last Modified
small suggestionhungdt117652006/12/18 19:32
by T.Ozaki
Ceperly Alder Exchange-CorrelationMichele Gusso121572006/12/07 11:51
by T.Ozaki
coud you show me how to setup OnpenMX in Win Oper?Mr.Cong722632006/12/06 05:15
by alex
PublicationsVasilii Artyukhov318992006/12/05 23:56
by Vasilii Artyukhov
How to construct peudopotential of fictitious atomXinyuan Zhang319562006/12/01 23:49
by Vasilii Artyukhov
opteron compilation errorAloysius122832006/12/01 18:23
by T.Ozaki
About Transport calculationHai-Ping Lan323922006/12/01 10:53
by T.Ozaki
Charged System calculationHai-Ping Lan117462006/11/29 14:31
by T.Ozaki
a suggestionalex116372006/11/29 14:17
by T.Ozaki
Trouble reading standard inputVasilii Artyukhov116372006/11/29 14:00
by T.Ozaki
Constraint_Opt/DIIS in OPENMX 3.1Thomas Gallauner116402006/11/29 13:20
by T.Ozaki
Can you show me to detail use of OpenMX program?Mr.Cong118452006/11/22 02:03
by Pavel
about charged moleculeXinyuan Zhang223752006/11/22 01:13
by Xinyuan Zhang
q: charges? basis sets/potentials validation?Grigory218182006/11/18 22:59
by Grigory
Bug fixed in OpenMX3.1, No.2T.Ozaki015502006/11/17 00:44
by T.Ozaki
Initial spin charges question?Dung Tien220112006/11/15 22:38
by Dung Tien
Bug fixed in OpenMX3.1, No.1T.Ozaki015652006/11/13 15:45
by T.Ozaki
install problem for 3.1 versonLiger Chen115092006/11/10 18:26
by Liger Chen
Does B-Bop do DOS?Vasilii Artyukhov214412006/11/09 22:04
by Vasilii Artyukhov
the molecular orbitalXinyuan Zhang119472006/11/09 11:15
by T.Ozaki
DOS of hcp Gd metalDr. Xubo Liu022342006/11/06 03:34
by Dr. Xubo Liu
Magnetic moment in cubic SrRuO3JessK341282006/11/05 00:05
by T.Ozaki
Memory UsageKevin218352006/11/04 06:41
by JessK
non convergence calculation problem!sabri121762006/11/04 02:12
by T.Ozaki
OpenMX Ver.3.1 availableT.Ozaki013992006/11/04 01:48
by T.Ozaki
Velocities in MDPavel113692006/11/04 01:28
by T.Ozaki
DosMain question.Liger Chen116232006/11/04 01:26
by T.Ozaki
error while testing Methane.datKevin218072006/11/03 20:40
by Kevin
Polarization in BaTiO3jessK129632006/11/01 10:15
by T.Ozaki
LDA+U energyjessK219112006/10/18 23:06
by jessK
runtest problem in opteronh. Jeong115712006/10/12 23:56
by T.Ozaki
is it possible for plus diffuse orbital ?Liger Chen117202006/10/12 23:01
by T.Ozaki
Binding energy calculationK. Bart124812006/10/12 22:52
by T.Ozaki
error message ...p4_error: interrupt SIGSEGV: 11..Liger Chen175242006/10/12 22:36
by T.Ozaki
Transition state search on OpenMXDung Tien218592006/10/04 11:10
by Dung Tien
STM imagePavel115172006/10/03 23:23
by T.Ozaki
Segmentation Fault for openMX MPI version 3.0KC424072006/09/29 14:31
by T.Ozaki
Dr.Hyuk Soon Choi218612006/09/29 09:31
by Hyuk Soon Choi
scf converge problem Liger Chen221712006/09/26 16:01
by Liger Chen
Hard to converge for geometric optimizer.Xinyuan Zhang712622006/09/21 16:56
by Xinyuan
what is the meaning of the error warning ?Liger Cheb338372006/09/20 14:56
by Liger Chen
Calculation of Work Function with Yukihiro Okuno125272006/09/19 10:53
by T.Ozaki
B-BOPXinyuan Zhang117652006/09/19 10:41
by T.Ozaki
Help with NVT Si Bulk SimulationRavi M219392006/08/25 12:51
by Ravi M
Misschristine114802006/08/18 12:58
by T.Ozaki
memory issuesjessK115742006/08/11 09:10
by T.Ozaki
A unknown problemXinyuan Zhang115862006/08/11 09:02
by T.Ozaki
Tetrahedron method applicabilityVasilii Artyukhov118472006/08/11 09:00
by T.Ozaki
A question about basis setPeter Winey221912006/07/10 23:49
by Peter Winey
Forces and symmetryPeter Winey220762006/07/10 23:28
by Peter Winey

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