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https://github.com/nakib/elphbolt/tree/develop/thirdparty/EPW/src |
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Hello,
I was trying to run the epw calculations for Si. In the epw.in file, when the file contained kmaps = .f., I would get a crash report saying bad input namelist &inputepw kmaps = .f. (error might be in the previous line). The previous line is outdir which I have set it to current directory.
But when I remove the kmaps flag, because it is by default false according to EPW code documentation, the calculation ran. But after a while it crashed again with the following message:
task # 0
from loadqmesh_serial : error # 1
Cannot load fine q points
I am attaching the input, output and the CRASH files for reference. I also noticed that when I ran pp.py code, I go the following message, before the prompt where I enter the prefix.
/home/giril/q-e-EPW-6.0/bin/pp.py:81: SyntaxWarning: invalid escape sequence '.'
fname_no_xml = re.sub('.xml$', '', fname)
/home/giril/q-e-EPW-6.0/bin/pp.py:99: SyntaxWarning: invalid escape sequence '.'
fname_no_xml = re.sub('.xml$', '', fname)
Enter the prefix used for PH calculations (e.g. diam)
si
epw_in.txt
epw_out.txt
CRASH.txt
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