That output file, case.outputd, as far as I know is not used an input to
another calculation process. Thus, it seems safe to click the "initlapw
without saving" button which would be another way to get around the
"Couldn't write to /." error from "Save and initlapw" in this case.
Although, if
Thank you for your response. I want to ask you that if I complete the
process by clicking continue initlapw without saving will it affect my
results as doing so I didn't find any error in scf convergence.
One more thing this " System ErrorCouldn't write to/." didn't observe
in other molecules
On an older, slower computer system, I was able to reproduce the error
displayed in w2web as:
*System Error*
Couldn't write to /.
_back to last page_
To produce the error, what I did in w2web was 1) I clicked the "view
case.outputd and cp case.in0_std case.in0" button, 2) paused about 5
For C16H20O7, did you happen to use the cif from [1]?
If so, I suppose you viewed it in xcrysden:
username@computername:~/wiendata/1503927$ ls -l
total 12
-rw-r--r-- 1 username username 10283 Jul 13 23:38 1503927.cif
username@computername:~/wiendata/1503927$ cif2struct 1503927.cif
T monoclinic
The OS is Linux and the script is in English.
*Thanks & Regards*
*Karina Khan*
On Fri, 14 Jul 2023 at 16:50, Laurence Marks
wrote:
> I think Peter was clear. Wien2k works.
>
> The term "System Error" is exactly that, some error with your operating
> system. Often these are caused by a user
I think Peter was clear. Wien2k works.
The term "System Error" is exactly that, some error with your operating
system. Often these are caused by a user error, although it could be
something else.
Try changing the name so it is shorter, and check your disk space. What OS
are you using - Linux,
Ok I will keep this thing in my mind for future
This command works well with different systems like Cs2AgInBr6, BP but not
with system having molecular formula C24H72N8In2Br14 and C16H20O7
On Thu, 13 Jul, 2023, 8:34 PM Peter Blaha, wrote:
> I cannot reproduce this. It works perfectly fine with
I cannot reproduce this. It works perfectly fine with me.
Please try again in another case. Or use the recommended fast mode. This
will set automatically good parameters in case.in0/1/2 and klist, and
not the "stupid" defaults of the step by step initialization.
PS: You cannot send large
We do not know what other errors have already occurred earlier, but a "
*write to/.*" sounds very strange.*
*
In which directory is your case stored ? I would imagine that when
creating the case in w2web, you already made a mistake when creating a
new folder.*
*
Please report exact errors
Dear Wien2k users,
During initialisation, I stuck up in the step *view
case.outpd and cp case.in0_std case.in0, *when I click on the step save and
initlapw, I get a *System Error couldn't write to/. * back to last page.
However this step is working for the other sample but
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