[Wien] question
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sunsr at ihep.ac.cn
Fri Sep 24 08:04:29 CEST 2004
Dear users:
When I calculate the Cu(111) surface, I constructed a supercell with nine layers Cu atoms and three layers vacuum.
But after some iterations of scf, there is a error in LAPW1 as follows:
** Error in Parallel LAPW1
** LAPW1 STOPPED at Fri Sep 24 13:37:40 CST 2004
** check ERROR FILES!
'SELECT' - no energy limits found for L= 1
'SELECT' - E-bottom -200.00000 E-top -200.00000
'SELECT' - no energy limits found for L= 1
'SELECT' - E-bottom -200.00000 E-top -200.00000
'SELECT' - no energy limits found for L= 1
'SELECT' - E-bottom -200.00000 E-top -200.00000
'SELECT' - no energy limits found for L= 1
'SELECT' - E-bottom -200.00000 E-top -200.00000
'SELECT' - no energy limits found for L= 1
'SELECT' - E-bottom -200.00000 E-top -200.00000
'SELECT' - no energy limits found for L= 1
'SELECT' - E-bottom -200.00000 E-top -200.00000
'SELECT' - no energy limits found for L= 1
'SELECT' - E-bottom -200.00000 E-top -200.00000
'SELECT' - no energy limits found for L= 1
'SELECT' - E-bottom -200.00000 E-top -200.00000
who can tell me what is the matter? and how could I solve it ?
thanks!
S. R. Sun
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