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ahmed hassan
ahmed hassan
8:50 AM
hi
Mr. Patche
I want to ask you about elastic constant
 
 
14 hours later…
VASP Finder
VASP Finder
10:59 PM
1
Q: VASP DOS WARNING: charge density file is incomplete ERROR: charge density could not be read from file CHGCAR for ICHARG>10

Trivaani YadavI'm working with a system of 192 atoms. I've already relaxed the structure (with ISIF=2 and ISMEAR=0) and achieved the required accuracy. Then, as per the instructions in the VASP manual, I ran the SCF calculation. After that, I copied the obtained CHGCAR file to the DOS directory and attempted t...

density-functional-theory vasp density-of-states charge-density
 

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