[Wien] Regarding warning in energies for SCF calculations

Kondaiah Samudrala konda.physics at gmail.com
Sun Oct 14 20:25:19 CEST 2012


Dear sir,

For generating structure file i used cif2struct command and i am running my
calculations with parallel only ( ifort and mpiifort, FFTW3)

with regards
S.Appalakondaiah
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