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user1271772
user1271772
1:25 AM
Missed opportunity:
2
Q: What's the meaning of k-points with weight zero?

CamillaIn the post of the link bellow someone mentioned to add k-points to the scf calculation with weight zero. Can someone explain to me what does it mean,please? https://www.mail-archive.com/users@lists.quantum-espresso.org/msg33817.html

density-functional-theory quantum-espresso physical-properties-of-materials k-points
Lost opportunity due to being hammered closed:
2
Q: DFT calculations

TomWhat is the best way to learn DFT (Density Functional Theory) for beginners? I want to learn DFT (both simulation and theory). I am a beginners in this field. What is the best way to learn it?

density-functional-theory vasp quantum-espresso gromacs
 
Important Matters
Important Matters
1:48 AM
2
Q: What's the meaning of k-points with weight zero?

CamillaIn the post of the link bellow someone mentioned to add k-points to the scf calculation with weight zero. Can someone explain to me what does it mean,please? https://www.mail-archive.com/users@lists.quantum-espresso.org/msg33817.html

density-functional-theory quantum-espresso physical-properties-of-materials k-points
 
 
20 hours later…
Important Matters
Important Matters
9:35 PM
2
Q: VASP calculation error

TomI got the error when running Vasp Calculation: Error EDDDAV: Call to ZHEGV failed. Returncode = 11 1 1. Can any one help me solve this problem?

density-functional-theory vasp quantum-chemistry
 

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