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
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PROCAR format for more than 1000 bands
Last edited by vikaskashid on Tue Aug 02, 2011 12:12 pm, edited 1 time in total.
PROCAR format for more than 1000 bands
rewriting the code for bigger numbers and recompiling, should be the only possibility.
Last edited by juhL on Tue Aug 02, 2011 9:39 pm, edited 1 time in total.
PROCAR format for more than 1000 bands
Thanks for the reply
Last edited by vikaskashid on Tue Aug 09, 2011 3:20 pm, edited 1 time in total.