[Wien] Radial wave function at Fermi level

2010-04-10 Thread Shin-ya Ayukawa
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

[Wien] Compiling error

2010-04-10 Thread Gerhard Fecher
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

[Wien] Compiling error

2010-04-10 Thread Gerhard Fecher
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

[Wien] Compiling error

2010-04-10 Thread hossien rahnama
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