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
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
