[Wien] big system stop at lapw0
wangguo
wangguottkl at eyou.com
Sun Nov 30 03:45:28 CET 2003
Dear,
I have a big system.The number of inequivalent atoms is 61 and its space group
is p21/c.So the total number of atoms is 61*4=244.
When I do the SCF,it stops with:
FORTRAN STOP LAPW0 END
Allocate error 494: Allocation of Array with extent of 31720000 failed
End of diagnostics
What can I do?
Thanks
Guo Wang
--http://www.eyou.com
--Îȶ¨¿É¿¿µÄµç×ÓÐÅÏä ÓïÒôÓʼþ Òƶ¯ÊéÇ© ÈÕÀú·þÎñ ÍøÂç´æ´¢...ÒÚÓÊδ¾¡
--http://vip.eyou.com
--¿ì¿ìµÇ¼ÒÚÓÊVIPÐÅÏä ×¢²áÄúÖÐÒâµÄÓû§Ãû
More information about the Wien
mailing list