ERROR in subspace rotation PSSYEVX: not enough eigenvalues
Moderators: Global Moderator, Moderator
-
- Newbie
- Posts: 5
- Joined: Tue Mar 21, 2017 9:06 am
ERROR in subspace rotation PSSYEVX: not enough eigenvalues
Dear Admin,
During the calculation i faced this problem. Could you help me please?
4 F= -.27411522E+03 E0= -.27410593E+03 d E =0.208778E+01 mag= 4.3339
curvature: -0.49 expect dE=-0.131E+01 dE for cont linesearch -0.460E-01
ZBRENT: bisectioning
opt : 0.4875 next Energy= -279.506652 (dE=-0.330E+01)
bond charge predicted
N E dE d eps ncg rms rms(c)
DAV: 1 -0.235781295821E+03 0.36233E+02 -0.23921E+03 10996 0.594E+01 0.263E+01
RMM: 2 -0.285713815318E+03 -0.49933E+02 -0.25177E+02 10498 0.327E+01 0.843E+01
RMM: 3 -0.286482114371E+03 -0.76830E+00 -0.16039E+01 10625 0.107E+01 0.673E+01
RMM: 4 -0.274980135977E+03 0.11502E+02 -0.79252E+00 10005 0.770E+00 0.400E+01
RMM: 5 -0.270477328329E+03 0.45028E+01 -0.67752E+00 10168 0.524E+00 0.183E+01
RMM: 6 -0.272684120272E+03 -0.22068E+01 -0.24277E+00 10191 0.286E+00 0.122E+01
RMM: 7 -0.273416493839E+03 -0.73237E+00 -0.39426E-01 10261 0.119E+00 0.118E+01
RMM: 8 -0.274572985592E+03 -0.11565E+01 -0.40289E-01 10000 0.122E+00 0.126E+01
RMM: 9 -0.275039354179E+03 -0.46637E+00 -0.27548E-01 10105 0.891E-01 0.144E+01
RMM: 10 -0.275083947890E+03 -0.44594E-01 -0.99103E-02 10119 0.638E-01 0.163E+01
RMM: 11 -0.275232358947E+03 -0.14841E+00 -0.30751E-02 10232 0.351E-01 0.180E+01
RMM: 12 -0.275334464923E+03 -0.10211E+00 -0.39612E-02 10079 0.317E-01 0.199E+01
RMM: 13 -0.275392161867E+03 -0.57697E-01 -0.17959E-02 10523 0.252E-01 0.214E+01
RMM: 14 -0.275369315183E+03 0.22847E-01 -0.83195E-04 7645 0.796E-02 0.206E+01
{ 4, 0}: On entry to { 2, 1}: On entry to
PZSTEIN parameter number 4 had an illegal value
PZSTEIN{ 3, 0}: On entry to parameter number 4 had an illegal value
{ 0, 0}: On entry to
PZSTEIN parameter number 4 had an illegal value
{ 3, 1}: On entry to
PZSTEIN parameter number 4 had an illegal value
{ 1, 2}: On entry to
PZSTEIN parameter number 4 had an illegal value
{ 4, 3}: On entry to
PZSTEIN parameter number 4 had an illegal value
{ 2, 0}: On entry to
PZSTEI{ 0, 1}: On entry to
PZSTEIN parameter number 4 had an illegal value
{ 1, 1}: On entry to
PZSTEIN parameter number 4 had an illegal value
{ 0, 2}: On entry to
PZSTEIN parameter number 4 had an illegal value
{ 2, 2}: On entry to
PZSTEIN parameter number 4 had an illegal value
During the calculation i faced this problem. Could you help me please?
4 F= -.27411522E+03 E0= -.27410593E+03 d E =0.208778E+01 mag= 4.3339
curvature: -0.49 expect dE=-0.131E+01 dE for cont linesearch -0.460E-01
ZBRENT: bisectioning
opt : 0.4875 next Energy= -279.506652 (dE=-0.330E+01)
bond charge predicted
N E dE d eps ncg rms rms(c)
DAV: 1 -0.235781295821E+03 0.36233E+02 -0.23921E+03 10996 0.594E+01 0.263E+01
RMM: 2 -0.285713815318E+03 -0.49933E+02 -0.25177E+02 10498 0.327E+01 0.843E+01
RMM: 3 -0.286482114371E+03 -0.76830E+00 -0.16039E+01 10625 0.107E+01 0.673E+01
RMM: 4 -0.274980135977E+03 0.11502E+02 -0.79252E+00 10005 0.770E+00 0.400E+01
RMM: 5 -0.270477328329E+03 0.45028E+01 -0.67752E+00 10168 0.524E+00 0.183E+01
RMM: 6 -0.272684120272E+03 -0.22068E+01 -0.24277E+00 10191 0.286E+00 0.122E+01
RMM: 7 -0.273416493839E+03 -0.73237E+00 -0.39426E-01 10261 0.119E+00 0.118E+01
RMM: 8 -0.274572985592E+03 -0.11565E+01 -0.40289E-01 10000 0.122E+00 0.126E+01
RMM: 9 -0.275039354179E+03 -0.46637E+00 -0.27548E-01 10105 0.891E-01 0.144E+01
RMM: 10 -0.275083947890E+03 -0.44594E-01 -0.99103E-02 10119 0.638E-01 0.163E+01
RMM: 11 -0.275232358947E+03 -0.14841E+00 -0.30751E-02 10232 0.351E-01 0.180E+01
RMM: 12 -0.275334464923E+03 -0.10211E+00 -0.39612E-02 10079 0.317E-01 0.199E+01
RMM: 13 -0.275392161867E+03 -0.57697E-01 -0.17959E-02 10523 0.252E-01 0.214E+01
RMM: 14 -0.275369315183E+03 0.22847E-01 -0.83195E-04 7645 0.796E-02 0.206E+01
{ 4, 0}: On entry to { 2, 1}: On entry to
PZSTEIN parameter number 4 had an illegal value
PZSTEIN{ 3, 0}: On entry to parameter number 4 had an illegal value
{ 0, 0}: On entry to
PZSTEIN parameter number 4 had an illegal value
{ 3, 1}: On entry to
PZSTEIN parameter number 4 had an illegal value
{ 1, 2}: On entry to
PZSTEIN parameter number 4 had an illegal value
{ 4, 3}: On entry to
PZSTEIN parameter number 4 had an illegal value
{ 2, 0}: On entry to
PZSTEI{ 0, 1}: On entry to
PZSTEIN parameter number 4 had an illegal value
{ 1, 1}: On entry to
PZSTEIN parameter number 4 had an illegal value
{ 0, 2}: On entry to
PZSTEIN parameter number 4 had an illegal value
{ 2, 2}: On entry to
PZSTEIN parameter number 4 had an illegal value
-
- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: ERROR in subspace rotation PSSYEVX: not enough eigenvalues
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