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PROCAR format for more than 1000 bands

Posted: Tue Aug 02, 2011 12:12 pm
by vikaskashid
I have carried one calculation for 800 atoms. The number of bands are written for 2500 bands. However, PROCAR gives number till 999 bands. After 999 bands, it writes as band ****.

Any idea how to overcome this formatting in PROCAR file ?

PROCAR format for more than 1000 bands

Posted: Tue Aug 02, 2011 9:39 pm
by juhL
rewriting the code for bigger numbers and recompiling, should be the only possibility.

PROCAR format for more than 1000 bands

Posted: Tue Aug 09, 2011 3:20 pm
by vikaskashid
Thanks for the reply