Job stopped with "PZSTEIN parameter number had an illegal value"

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yasin

Job stopped with "PZSTEIN parameter number had an illegal value"

#1 Post by yasin » Wed Feb 01, 2012 3:55 pm

Dear VASP Masters,

One of my VASP job stopped unexpectedly at the second ionic step. the following information appeared.

PZSTEIN parameter number 4 had an illegal value

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1 F= -.71164374E+03 E0= -.71165770E+03 d E =-.711644E+03 mag= 12.8386
curvature: 0.00 expect dE= 0.000E+00 dE for cont linesearch 0.000E+00
trial: gam= 0.00000 g(F)= 0.818E+02 g(S)= 0.000E+00 ort = 0.000E+00 (trialstep = 0.100E+01)
search vector abs. value= 0.818E+02
bond charge predicted
N E dE d eps ncg rms rms(c)
RMM: 1 -0.486701700958E+03 0.22495E+03 -0.13920E+03 8427 0.415E+01 0.104E+02
RMM: 2 -0.778672396588E+02 0.40883E+03 -0.10346E+03 8455 0.188E+02 0.688E+01
RMM: 3 -0.537940911057E+03 -0.46007E+03 -0.21597E+03 11396 0.147E+02 0.925E+01
RMM: 4 -0.335215395739E+03 0.20273E+03 -0.12009E+03 12579 0.113E+02 0.535E+01
RMM: 5 -0.284566967160E+03 0.50648E+02 -0.72671E+02 11413 0.888E+01 0.438E+01
RMM: 6 -0.221626411279E+03 0.62941E+02 -0.43566E+02 12081 0.609E+01 0.533E+01
RMM: 7 -0.217387228914E+03 0.42392E+01 -0.15165E+02 10599 0.616E+01 0.189E+01
RMM: 8 -0.231198744414E+03 -0.13812E+02 -0.22209E+02 11487 0.346E+01 0.206E+01
RMM: 9 -0.231105662643E+03 0.93082E-01 -0.14064E+01 9907 0.468E+01 0.223E+01
RMM: 10 -0.239079603731E+03 -0.79739E+01 -0.56428E+01 11393 0.252E+01 0.228E+01
RMM: 11 -0.240082982612E+03 -0.10034E+01 0.14082E+01 10215 0.345E+01 0.175E+01
RMM: 12 -0.244040693620E+03 -0.39577E+01 -0.31261E+01 11314 0.120E+01 0.201E+01
RMM: 13 -0.245115060227E+03 -0.10744E+01 -0.77148E+00 10764 0.103E+01 0.186E+01
RMM: 14 -0.244383449630E+03 0.73161E+00 -0.24263E+00 11259 0.569E+00 0.166E+01
RMM: 15 -0.243279650807E+03 0.11038E+01 -0.31439E+00 10917 0.318E+00 0.150E+01
RMM: 16 -0.241390660067E+03 0.18890E+01 -0.42900E+00 10898 0.313E+00 0.115E+01
{ 0, 1}: On entry to
PZSTEIN parameter number 4 had an illegal value
{ 1, 5}: On entry to
PZSTEIN parameter number 4 had an illegal value
{ 0, 0}: On entry to
PZSTEIN parameter number 4 had an illegal value
{ 0, 2}: On entry to
PZSTEIN parameter number 4 had an illegal value
{ 0, 3}: On entry to
PZSTEIN parameter number 4 had an illegal value
{ 0, 4}: On entry to

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______________________________________________________


Can you tell me why this happen and how I fix it?



Thanks.
Y
Last edited by yasin on Wed Feb 01, 2012 3:55 pm, edited 1 time in total.

support_vasp
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Joined: Mon Nov 18, 2019 11:00 am

Re: Job stopped with "PZSTEIN parameter number had an illegal value"

#2 Post by support_vasp » Thu Sep 12, 2024 8:54 am

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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