lattlib.F , line 452
the reciprocal volume OMEGA is compared to the value of TINY*TINY*TINY
in my compilation (Intel compiler 11.1), TINY adopts the value 0.03.
If I have very large REAL SPACE volumes [eg, a=b=c=35 Ã…], this results in an error:
" VERY BAD NEWS! internal error in subroutine LATTYP:
Cellvolume is zero ! -3
"
because the RECIPROCAL VOLUME OMEGA is smaller than the product TINY*TINY*TINY.
Please reduce the TINY here to allow working with larger real space unit cell volumes !
'imperfection' in lattlib.F
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pkroll
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'imperfection' in lattlib.F
Last edited by pkroll on Sat Dec 26, 2009 3:54 am, edited 1 time in total.
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support_vasp
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Re: 'imperfection' in lattlib.F
Hi,
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