[QE-users] workaround for projwfc with SG15 ONCV

Zeeshan Ahmad azeeshan at uchicago.edu
Sat Feb 20 01:49:47 CET 2021


This worked, thanks Paolo. I set the value of natomwfc inside the projwave function.

Also in my original post had an error:
"    Starting wfcs are  112 randomized atomic wfcs +  108 random wfcs”
should be 
"    Starting wfcs are  128 randomized atomic wfcs +  124 random wfcs”
since natomwfc was 128.

--
Zeeshan Ahmad
Postdoctoral Researcher
Pritzker School of Molecular Engineering
University of Chicago

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