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
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
