on that!!!
Victor Y. Zenou
PhD student
Department of Materials Engineering
BGU?
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AND now to my question: the specific phase that was explored was
reported elseware as weak parameagnetic with temperature
independent. SP calculations gave me more realistic volume than
non-SP. Is it a coincidence?
The best simulation in a static bandstructure approach would
probably be
://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120223/05f770a7/attachment.sh
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You have not told your mpi command what machines file to use, it
should be something similar to
setenv WIEN_MPIRUN mpirun --np _NP_ -machinefile _HOSTS_ _EXEC_
WARNING: exactly what depends upon your system.
2012/2/23 Celine Hin celhin at vt.edu:
Dear Wien2k users,
WIEN2k has been compiled
Dear Sir/Madam,
I am using Wien2k package to do SpinOrbit calculation of a
perovskite compound . I have spin polarised calculation.I have done
exactly same steps to do SO calculation as given in userguide. But at
the end LAPW2 is crashed. In error file it is showing the error
cp: cannot stat
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