[Wien] 100+ atomic numbers

2015-08-06 Thread foyevtsova
Dear wien2k community, is it possible to do a calculation for an element with the atomic number greater than 100? I am getting an error when the struct file is read. Thank you, Kateryna Foyevtsova ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at

Re: [Wien] 100+ atomic numbers

2015-08-06 Thread Gavin Abo
It might help if you mention specifically which atomic number you are try to use. Also, the error occurs when the struct file is read by what (StructGen, lapw0, ...)? What is the exact error message given by the program? You can specify elements to atomic number 103 in StructGen. If you