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<DIV><FONT face=Arial size=2>Dear All,</FONT></DIV>
<DIV><FONT face=Arial
size=2>
I am working with wien2k for my calculation of a vanadium based compound . I
have run the TiC test example and the agreement is good with the supplied
result I could form the case.struct and case.inst files. I have done the
initialization successfully. Problem starts while running the SCF cycle
after successful run of the lapw0 the program stops during the lapw1 giving
eorror message The lapw1.error file looks like :</FONT></DIV>
<DIV><FONT face=Arial size=2> 'SELECT' - no energy limits found for
L=0</FONT></DIV>
<DIV><FONT face=Arial size=2> 'SELECT' -E-bottom
-8.18000</FONT></DIV>
<DIV><FONT face=Arial
size=2>
E-top -200 .00000</FONT></DIV>
<DIV><FONT face=Arial size=2>Surprisingly the emin and emax are set to -7.0 and
1.5 respsctively.</FONT></DIV>
<DIV><FONT face=Arial size=2>I failed to pinpoint the error and solicit your
help.</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Arun</FONT></DIV></BODY></HTML>