Dear all,
Presently, I am studying electron phonon coupling for the metals, which are
crystallizes in orthorhombic and monoclinic structure. Earlier, i did
successful calculations for cubic materials with 32X32X32 kpoint and 4X4X4
q grids. Now, I am confuse with present orthorhombic and monoclinic
structure grids. If I am using equivalent q-grid , i got below error
from lint : error # 203
cannot remap grid on k-point list
My optimized K-grids are 10X5X8 for VC-relax. How can i fix the q grids
for electron phonon coupling.. I mean equal (nXnXn) grids or non equivalent
grids???
Hope for positive reply. Thanks in advance
with regards
S. Appalkondaiah
Research schloar
ACRHEM
University of Hyderabad
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