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Hello,

I have been trying band-structure calculation using GWA on VASP 5.2.
As a first step, the calculation was executed by the following settings.

[INCAR]
general:
System = a
NBANDS = 120
ISMEAR = 0 ; SIGMA = 0.05
LORBIT = 11
LOPTICS = .TRUE.


As the next step, I added "ALGO = GW0 ; NOMEGA = 50" in the INCAR file, and performed GWA calculation.
But it appears 'ERROR in DETERMINE_SLOT_INTER: the frequency range is not sufficient' in the log file and it stoped.



I wonder if anyone can find what is wrong with my calculation.
Thank you very much.

"the frequency range is not sufficient" this massage tells, you need to increase the value of NOMEGA (may be double !). Even this sysytem is too heavy, I think you could check it.

PS: Do you have well conversed normal DFT calculation before going to GW0 calculation? Have you checked the EPSILON file to see Re and Im Epsilon ? How is it looks like ? What is the value of CSHIFT ? It should be same during GW0 calculation.

CSHIFT =0.1 in all the calculations.I set NOMEGA=80, but it always appears the error. Is the biggest value of NOMEGA 100?If not it could be set more bigger than 100?

Dear sdwang,

GW issues are really cumbersome to deal with. I prepared some tutorial-like README.txt in http://db.tt/eSTQbyx . Have a look at there and compare your INCARs with mine.

Regards.

Thanks! But I can not open it.

Then try this:

http://unam.bilkent.edu.tr/mt2/random/GW/