Most likely your case.struct is wrong (wrong RMT, lattice parameters,
atomic positions,....), but without further details we can only
speculate ...
On 07/15/2014 02:33 PM, delamora wrote:
One possible solution is to run;
run -in1new 1
This changes the
case.in1
You may need to run it few times.
------------------------------------------------------------------------
*De:* wien-boun...@zeus.theochem.tuwien.ac.at
<wien-boun...@zeus.theochem.tuwien.ac.at> en nombre de sikandar azam
<sikandar...@yahoo.com>
*Enviado:* martes, 15 de julio de 2014 04:35 a.m.
*Para:* Wien@zeus.theochem.tuwien.ac.at
*Asunto:* [Wien] (no subject)
Dear All
Please help me how to solve this problem
Error in LAPW1 'SELECT' - no energy limits found for atom 1 L= 0
'SELECT' - E-bottom -200.00000 E-top -200.00000
with regards
sikander
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--
P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: bl...@theochem.tuwien.ac.at WWW:
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