Dear all,
I am sorry to discuss this simple problem here. When I want to calculate the
e-ph coupling, after the calculation finishes for the q=(0,0,0) point, for the
next q point it cannot perfectly output (or maybe determine!) the modes and in
input file I get something like this:
?
? ?? omega( 10 - 10) =??????? 190.8? [cm-1]?? --> B_u
???? omega( 11 - 11) =??????? 197.8? [cm-1]?? -->?? ?
???? omega( 11 - 11) =??????? 197.8? [cm-1]?? --> B_g
???? omega( 11 - 11) =??????? 197.8? [cm-1]?? -->?? ?
???? omega( 11 - 11) =??????? 197.8? [cm-1]?? -->?? 0A_u
???? omega( 12 - 12) =??????? 212.6? [cm-1]?? --> A_u
???? omega( 13 - 13) =??????? 276.6? [cm-1]?? --> B_u
???? omega( 14 - 14) =??????? 280.7? [cm-1]?? -->?? ?
???? omega( 14 - 14) =??????? 280.7? [cm-1]?? --> A_g
and then the program stops and gives the error:
from lint : error #??????? 38
cannot remap grid on k-point list
Stop 2
----------------------------------------------------------------------
I have tried k meshes as dense as (100 100 25)!!? (for higher meshes!! program
stops by the error too many k points) as somebody told me that may be because
of not enough dense k mesh (my q mesh is (8,8,2)) but the error still exist! I
also tried the new CVS version and nothing changed. I have rechecked the input
files more than hundred? time? and? I am sure there is every thing ok. Can any
body help me?
Thank you very much,
Ali Tavana
Atomistid Modelling and Design of Materials,
University of Leoben, Austria
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