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and how to solve them?
Regards
Reza
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Version 11.1 does not have fftw3 support, but you have to link with fftw2
only WIEN2k_12.1 has both, fftw2 and 3 support.
Am 24.09.2012 13:45, schrieb Reza Mahani:
Hi Prof Blaha and Wien2k users,
I am trying to install Wien2k 11.1 with the following OPTIONS:
current:FOPT:-FR -mp1 -w
Hi,
at the end of the AIM output you should see a line similar to this:
:RHOTOT for IND-ATOM 5 Z= 6.0 CHARGE: 7.30973 -1.30973
here you can see, that the atom integrated in this example has a
Bader-Charge of -1.31 electrons.
However, if you plan to interpret these numbers you should
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Can someone help me please ?? and Thanks in advance !
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Can someone help me please ! and Thanks in advance !
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Dear All,
Recalling recent reports on kinks in vcoul, they appear upon calling
'lapw5 lapw5.def' (edited in lines 9 and 11 for *.vcoul) and disappear
upon calling 'lapw5c lapw5.def' in calculations with the -c flag.
This is not a bug because the manual is explicit in 8.6.1. I hope
cd /PATH-TO-FFTW3/lib/
grep -e fftw_alloc_complex *
Binary file libfftw3.a matches
This indicates that 'fftw_alloc_complex'' is part of the libfftw3.a
library (i.e., -lfftw3).
Is -lfftw3 in RP_LIBS line, maybe you accidentally removed it?
On 9/24/2012 7:47 AM, Reza Mahani wrote:
Thanks for
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