Dear VASP'ers,
When running a linear-response calculation in VASP 5.3.3, I'm getting the following error:
internal ERROR: LINEAR_RESPONSE_DIIS matrix is zero, try to call with LRESET
Does anyone know the solution to this problem? See my input below. Thanks!
****************************************************************
KPOINTS:
14x14x11
0
Gamma
6 6 6
0 0 0
****************************************************************
INCAR:
ISMEAR = -5
SIGMA = 0.01
LASPH = T
PREC = Accurate
ADDGRID = .TRUE.
ENCUT = 1200
LREAL = F
EDIFF = 1E-9
EDIFFG = 1E-9
IBRION = 8
LEPSILON = .TRUE.
****************************************************************
POSCAR:
Al4 Sb4
1.0
6.2337603569 0.0000000000 0.0000000000
0.0000000000 6.2337603569 0.0000000000
0.0000000000 0.0000000000 6.2337603569
Al Sb
4 4
Direct
0.000000000 0.000000000 0.000000000
0.000000000 0.500000000 0.500000000
0.500000000 0.000000000 0.500000000
0.500000000 0.500000000 0.000000000
0.750000000 0.750000000 0.250000000
0.750000000 0.250000000 0.750000000
0.250000000 0.750000000 0.750000000
0.250000000 0.250000000 0.250000000
******************************************
internal ERROR: LINEAR_RESPONSE_DIIS matrix is zero, try to
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Re: internal ERROR: LINEAR_RESPONSE_DIIS matrix is zero, try
In the test run with your input data the error is not reproduced.
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Re: internal ERROR: LINEAR_RESPONSE_DIIS matrix is zero, try
Thanks for the reply, admin.
I was able to solve the problem by changing the EDIFF and EDIFFG values to:
EDIFF = 1E-8
EDIFFG = 1E-8
I was able to solve the problem by changing the EDIFF and EDIFFG values to:
EDIFF = 1E-8
EDIFFG = 1E-8