Hello Everybody
I run the ph.x to calculate phonon dispersion separate single q point in different machine for faster. And after that, I collect the "dyn dvscf" file for running EPW by manual. (which can collect by the pp.py script automatically if calculate q in normal ways).Then when I run epw.x, I meet some errors.
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Error in routine read_disp_pattern (1):
Problems with current_iq
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Maybe I miss some important files when collect？Or I can't separate q points to run?
Can anyone tell me why? Thank you very much!
xiaming
Error in routine read_disp_pattern (1):
Moderator: stiwari
Re: Error in routine read_disp_pattern (1):
Hi xiaming,
Can you please check your "save/prefix.phsave/patterns.XX.xml" files? In the fourth line of all "patterns.XX.xml" files, you can see the line
"<QPOINT_NUMBER>XX</QPOINT_NUMBER>". I think in all your patterns files, you have "<QPOINT_NUMBER>1</QPOINT_NUMBER>". Can you please change the number "1" there to the corresponding number of the q-point and run the calculation?
Let me know if this helps.
Best
Gyanu Kafle
Can you please check your "save/prefix.phsave/patterns.XX.xml" files? In the fourth line of all "patterns.XX.xml" files, you can see the line
"<QPOINT_NUMBER>XX</QPOINT_NUMBER>". I think in all your patterns files, you have "<QPOINT_NUMBER>1</QPOINT_NUMBER>". Can you please change the number "1" there to the corresponding number of the q-point and run the calculation?
Let me know if this helps.
Best
Gyanu Kafle