Dear all,
Hello. I encounter this problem when I tried to run MD
in vacuo.
Ewald PARAMETER RANGE CHECKING:
parameter alpha: (unit cell angle) has value
0.16503-263
This is outside the legal range
Lower limit: 0.30000E+02 Upper limit: 0.15000E+03
Check ew_legal.h
Anyone know what could be the problem? I have set
ntb=0.
Thanks.
regards,
Yam
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Received on Tue Nov 15 2005 - 03:53:00 PST
