Job stopped with "PZSTEIN parameter number had an illegal value"
Moderators: Global Moderator, Moderator
Job stopped with "PZSTEIN parameter number had an illegal value"
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
_______________________________________________________________
.........................
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
.............................................................................
.............................................................................
______________________________________________________
Can you tell me why this happen and how I fix it?
Thanks.
Y
One of my VASP job stopped unexpectedly at the second ionic step. the following information appeared.
PZSTEIN parameter number 4 had an illegal value
_______________________________________________________________
.........................
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
.............................................................................
.............................................................................
______________________________________________________
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.
-
- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: Job stopped with "PZSTEIN parameter number had an illegal value"
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