[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20171031/1ab33964/attachment.html>
More information about the users
mailing list