Hello
I make step by step in user's guide about mbj for zns and got error (last
command run_lapw -i 80)
start (Fri Jul 4 15:03:08 MSK 2014) with lapw0 (40/99 to go)
cycle 1 (Fri Jul 4 15:03:08 MSK 2014) (40/99 to go)
lapw0 -grr -p (15:03:08) starting parallel lapw0
Hi WIen2k
I want use SO+U . but i dont know what first need do and step after , i can
you tell me how i can. and how to plot DOS with SO+U
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My system ubuntu 14.04 which ifort and icc and mpif90 (openmpi)
i got error
touch .parallel
make PARALLEL='-DParallel' dstart_mpi \
FORT=mpif90 FFLAGS=' -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML
-traceback -assume buffered_io -DFFTW3 -I/usr/local/include '-DParallel''
make[1]: Entering
Dear WIEN2k users
I am using WIEN 14.2 version. I have some question, can explain me!
1) I want to calculate XAS S and P of Tl3PS4 compound. Can i remove
electrons from 2 atom (S and P) at the same time? Or only can
calculate XAS for each case.
2) For XAS need make core-hole in supercell,
Thank Pro. Gavin Abo and Pro. Mehmet Topsakal
i just read paper Calculating the effective U in APW methods. NiO // Georg
K. H. Madsen and Pavel Novak
For NiO , element Ni (3d^6 4s^2) - has 8 d electrons. we can make two
calculations. One with 4.5 ↑, 4 ↓ and one with 4.5↑, 3 ↓ constrained
Dear creators!
I have come across a difficulty in realization your program. Can you
explain, how to calculate the parameter U for the case, when the d-subshell
is completely full filled.(example Zn, Ag or 5d Hg, Tl, Pb)
I am grateful to you in advance.
Yours sincerely, the third year
// Claudia Ambrosch-Draxl , Jorge O.
Sofo // Computer Physics Communications 175 (2006) 1–14.”
Kind Regards
Tuan Vu
PhD Student
Rostov-On-Don, Russia.
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, Rostov-on-Dou, pl. Gagarin 1, Don State University, the
department of "Electrical and Electronics".
Kind Regards
Doctor of physical and mathematical sciences, Prof. Lavrentyev A.A. and PhD
Student Tuan Vu
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= default
(0.2), nkpoint = 1000.
Sincerely.
PhD. Student Tuan Vu
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-potential.
Rest regards
PhD. Student Tuan Vu
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Dear all
I want to know WIEN2k can calculate Non linear optical
susceptibilities (Second harmonic generation) ? If can, could tell me
how i can get it.
Kind Regards
Tuan Vu
PhD. Student in Don State Technical University.
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