<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">Dear all,<br>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:<br> <br> omega( 10 - 10) = 190.8 [cm-1] --> B_u<br> omega( 11 - 11) = 197.8 [cm-1] --> ?<br> omega( 11 - 11) = 197.8 [cm-1] --> B_g<br> omega( 11 - 11) = 197.8 [cm-1] --> ?<br> omega( 11 -
11) = 197.8 [cm-1] --> 0A_u<br> omega( 12 - 12) = 212.6 [cm-1] --> A_u<br> omega( 13 - 13) = 276.6 [cm-1] --> B_u<br> omega( 14 - 14) = 280.7 [cm-1] --> ?<br> omega( 14 - 14) = 280.7 [cm-1] --> A_g<br><br>and then the program stops and gives the error:<br><br>from lint : error # 38<br>cannot remap grid on k-point list<br><br>Stop 2<br>----------------------------------------------------------------------<br><br>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?<br>Thank you very much,<br><br>Ali Tavana<br>Atomistid Modelling and Design of Materials,<br>University of Leoben, Austria<br><br><br></td></tr></table><br>