[Wien] Error while running IRelast - calljob_lapw

m_jamal57 at yahoo.com m_jamal57 at yahoo.com
Wed Sep 7 16:34:39 CEST 2022


There are two ways:

1-Repeat your example again and in section Enter Data for auto initialization give L-max 8 otherwise 8.0

2- edit file "auto_init_lapw" and correct   L-max as:

initIR_lapw .... -lmax 8

Otherwise

initIR_lapw .....-lmax 8.0

With best,
Morteza


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