WAVECAR vasp 4.6 in vasp 5.3

Problems running VASP: crashes, internal errors, "wrong" results.


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mno
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WAVECAR vasp 4.6 in vasp 5.3

#1 Post by mno » Fri Mar 08, 2013 12:57 pm

Did something change in the formatting of the WAVECAR file between vasp 4.6 and 5.3?

I see no difference in the WRITE(12,... lines in fileio.F between 4.6 and 5.3. However, when I try to read in a WAVECAR created with 4.6 with vasp 5.3 it reads in NBANDS=0 and a strange number for ENMAX.

With the first line
fileio.F: READ(12,REC=1,ERR=200) RDUM,RISPIN,RTAG
there seems to be no problem. The discrepancy appears in the second line:
fileio.F: READ(12,REC=2,ERR=200) RKPTSF,RBANDF,ENMAXF, ...

Any suggestions what might have changed or could be the cause? :)
Last edited by mno on Fri Mar 08, 2013 12:57 pm, edited 1 time in total.

support_vasp
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Re: WAVECAR vasp 4.6 in vasp 5.3

#2 Post by support_vasp » Tue Sep 10, 2024 2:28 pm

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP


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