Question on non collinear calculations.
Posted: Wed Nov 20, 2013 4:49 am
Hi I was wondering if anyone has performed a non-collinear magnetism calculation, meaning using nspinor=2 in a GW calculation. I have obtained the *DEN and the *KSS file but when I want to perform a screening calculation it asks me to add the terms
usewvl 1
iscf 2
icoulomb 1
If I'm not mistaken usewvl 1 asks for a wavelet calculation and I don't want to perform that. It gives me this error at the end as well
...
Coarse resolution grid: Number of segments= 1137 points= 28991
STOP ml1 < nl1
If anyone can provide any insight, or even better a job script for me to learn, I would greatly appreciate it.
usewvl 1
iscf 2
icoulomb 1
If I'm not mistaken usewvl 1 asks for a wavelet calculation and I don't want to perform that. It gives me this error at the end as well
...
Coarse resolution grid: Number of segments= 1137 points= 28991
STOP ml1 < nl1
If anyone can provide any insight, or even better a job script for me to learn, I would greatly appreciate it.