27.11.2015 13:45, Abdul Jalil wrote:
SELECT - Error*
*'SELECT' - no energy limits found for atom 1 L= 0
'SELECT' - E-bottom -200.0 E-top -200.0 *
In what you have sent (or I have received), there are atoms at the same
positions:
> ATOM -1: X=0.3000 Y=0.7000
Dear wien2k users
Please see the error and structure file and suggest the solution.
[abdul@dawn0 Mo2C]$ run_lapw
*LAPW0 ENDSELECT - Error*
> stop error
[abdul@dawn0 Mo2C]$ ls
dstart.defMo2C.eecedn Mo2C.inc_st Mo2C.outputkgen
Mo2C.sigma Mo2C.vnsdn
dstart.error
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