On Mon, 2014-10-27 at 16:57 +0000, Albert Aniagyei wrote: > ntyp = 4 ,
no, 5 : > ATOMIC_SPECIES > O 15.9940 1. O.pbe-van_ak.UPF > La 138.9054 1. La.pbe-nsp-van.UPF > Mn1 54.9380 1. Mn.pbe-sp-van.UPF > Mn2 54.9380 1. Mn.pbe-sp-van.UPF > Sr 87.6200 1. Sr.pbe-nsp-van.UPF P. -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
