Hi Everyone,

 If you ever encounter problems like this, please attach a feff.inp
so we and others can duplicate and troubleshoot the problem. Thanks.


known (hopefully correct). The default feff6l in Artemis reports an error
?????Hard tests failed in fovrg. Muffin-tin radius may be too large;
coordination number too small???. When I run feff8.2, this error exchanges
with the following message ???The phase shift correction is accurate to
k=19???. I guess that this is not a problem, because my data is until k equal
12 A^-1. However, the fit of the first shell (9O/9N) gives Eo equal to 13,
which is unrealistic. This fit with paths calculated with feff6l gives
reasonable Eo value. But the phase shifts seem to be calculated
incorrectly. I will be very thankful for any hint! Thanks in advance
Ifeffit mailing list

Reply via email to