Dear Prof. Blaha,
When I changed the corresponding lines contain 0.000 in [case].in1
file, energy parameter
wasn't fixed and occurred 'SELECT'-error in lapw1.
While I have changed to 0 (integer) from 0.000 in the lines, lapw1 has
done successfully.
Thank you for your many suggestions, I have
I just checked the page, it is working.
The page will ask you for you system etc, so you have to do it by youreself
Ciao
Gerhard
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
Try dynamic linking and check
http://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/
do you need to compile for a 32 bit machine ?
if not then /opt/intel/Compiler/11.1/069/bin/ia32
is not needed
Ciao
Gerhard
Dr. Gerhard H. Fecher
Institut of
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