[Pw_forum] Phonon calulcation with nonlocal vdW correction by version 6.2. 'Error in routine openfilq (1): file **.wfc not found'

黄志硕 zhishuohuang at gmail.com
Tue Oct 31 11:31:54 CET 2017


Dear Quantum Espresso users,

Recently I used the latest version of quantum espresso (6.2) to calculate
the phonon dispersion with nonlocal vdW correction by setting the tag
input_dft='vdW-DF'. And I used the splitting mode for the calculation.

However, the calculation of 'start_q=1, last_q=1' in the splitting
calculation worked properly, while others ran into an error shown below:

###########################################
     Error in routine openfilq (1):
     file **.wfc not found
###########################################

I will be appreciated if anyone could give me any instructions.

Best regards
Zhishuo Huang
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