[Pw_forum] Structure shrinks in SCF output file

Saurav Sarma sauravsarma.dbi at gmail.com
Wed Mar 1 20:29:06 CET 2017


Dear All,

I am a new user and finding difficulty in SCF calculation. As soon as I
perform SCF calculation in a slab with top vacuum, it gets shrinked in the
output file. I am guessing that it might be an error in the "units" but I
am unable to figure out. I am attaching the link of input and the ouptut
file:

Input file:
https://drive.google.com/open?id=0B_v_v5XU6j2ZcGo3bkV3NUZQRzA

Output file:
https://drive.google.com/open?id=0B_v_v5XU6j2ZT1dYRkRnc2s4M1E

Thanks and Regards,
Saurav
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