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Topics Author Replies Views Last Modified
small suggestionhungdt125022006/12/18 19:32
by T.Ozaki
Ceperly Alder Exchange-CorrelationMichele Gusso129042006/12/07 11:51
by T.Ozaki
coud you show me how to setup OnpenMX in Win Oper?Mr.Cong731352006/12/06 05:15
by alex
PublicationsVasilii Artyukhov327922006/12/05 23:56
by Vasilii Artyukhov
How to construct peudopotential of fictitious atomXinyuan Zhang327402006/12/01 23:49
by Vasilii Artyukhov
opteron compilation errorAloysius131172006/12/01 18:23
by T.Ozaki
About Transport calculationHai-Ping Lan331602006/12/01 10:53
by T.Ozaki
Charged System calculationHai-Ping Lan124762006/11/29 14:31
by T.Ozaki
a suggestionalex124162006/11/29 14:17
by T.Ozaki
Trouble reading standard inputVasilii Artyukhov123612006/11/29 14:00
by T.Ozaki
Constraint_Opt/DIIS in OPENMX 3.1Thomas Gallauner124312006/11/29 13:20
by T.Ozaki
Can you show me to detail use of OpenMX program?Mr.Cong127422006/11/22 02:03
by Pavel
about charged moleculeXinyuan Zhang231452006/11/22 01:13
by Xinyuan Zhang
q: charges? basis sets/potentials validation?Grigory226582006/11/18 22:59
by Grigory
Bug fixed in OpenMX3.1, No.2T.Ozaki024692006/11/17 00:44
by T.Ozaki
Initial spin charges question?Dung Tien228312006/11/15 22:38
by Dung Tien
Bug fixed in OpenMX3.1, No.1T.Ozaki024762006/11/13 15:45
by T.Ozaki
install problem for 3.1 versonLiger Chen122782006/11/10 18:26
by Liger Chen
Does B-Bop do DOS?Vasilii Artyukhov221952006/11/09 22:04
by Vasilii Artyukhov
the molecular orbitalXinyuan Zhang128442006/11/09 11:15
by T.Ozaki
DOS of hcp Gd metalDr. Xubo Liu030952006/11/06 03:34
by Dr. Xubo Liu
Magnetic moment in cubic SrRuO3JessK350262006/11/05 00:05
by T.Ozaki
Memory UsageKevin226082006/11/04 06:41
by JessK
non convergence calculation problem!sabri130712006/11/04 02:12
by T.Ozaki
OpenMX Ver.3.1 availableT.Ozaki021402006/11/04 01:48
by T.Ozaki
Velocities in MDPavel121782006/11/04 01:28
by T.Ozaki
DosMain question.Liger Chen123872006/11/04 01:26
by T.Ozaki
error while testing Methane.datKevin226882006/11/03 20:40
by Kevin
Polarization in BaTiO3jessK138572006/11/01 10:15
by T.Ozaki
LDA+U energyjessK228182006/10/18 23:06
by jessK
runtest problem in opteronh. Jeong123282006/10/12 23:56
by T.Ozaki
is it possible for plus diffuse orbital ?Liger Chen124922006/10/12 23:01
by T.Ozaki
Binding energy calculationK. Bart136142006/10/12 22:52
by T.Ozaki
error message ...p4_error: interrupt SIGSEGV: 11..Liger Chen190342006/10/12 22:36
by T.Ozaki
Transition state search on OpenMXDung Tien226962006/10/04 11:10
by Dung Tien
STM imagePavel122842006/10/03 23:23
by T.Ozaki
Segmentation Fault for openMX MPI version 3.0KC433552006/09/29 14:31
by T.Ozaki
Dr.Hyuk Soon Choi227362006/09/29 09:31
by Hyuk Soon Choi
scf converge problem Liger Chen229422006/09/26 16:01
by Liger Chen
Hard to converge for geometric optimizer.Xinyuan Zhang727162006/09/21 16:56
by Xinyuan
what is the meaning of the error warning ?Liger Cheb346462006/09/20 14:56
by Liger Chen
Calculation of Work Function with Yukihiro Okuno134342006/09/19 10:53
by T.Ozaki
B-BOPXinyuan Zhang125172006/09/19 10:41
by T.Ozaki
Help with NVT Si Bulk SimulationRavi M227402006/08/25 12:51
by Ravi M
Misschristine122742006/08/18 12:58
by T.Ozaki
memory issuesjessK122772006/08/11 09:10
by T.Ozaki
A unknown problemXinyuan Zhang125042006/08/11 09:02
by T.Ozaki
Tetrahedron method applicabilityVasilii Artyukhov127532006/08/11 09:00
by T.Ozaki
A question about basis setPeter Winey229372006/07/10 23:49
by Peter Winey
Forces and symmetryPeter Winey232102006/07/10 23:28
by Peter Winey

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