[Pw_forum] calculation wouldn't run using espresso-4.2.1 but did run with espresso-4.1.3

Tram Bui trambui at u.boisestate.edu
Tue Mar 8 00:28:33 CET 2011


Hi Everyone,
     I have post a question regarding the single atom calculation for carbon
simple cubic system last month. I was using the ultra-soft pseudopotential
of C as :C.pbe-van_ak.UPF. And the calculation ran fine using espresso-4.1.3
(oder version), but not for espresso-4.2.1 (latest version). So would you
let me know what might have been my problem? was it my input file or the new
version of quantum espresso? I also attached my input file here for more
info.

Regard,
Tram Bui

M.S. Materials Science & Engineering
trambui at u.boisestate.edu
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