VASP cannot be calculated for surfaces containing Cs elements
Posted: Thu Mar 21, 2024 7:31 am
Official and fellow users, hello.
Recently, when I used VASP to calculate the system containing Cs, I found that VASP could not calculate normally when calculating the surface system containing Cs elements, and always terminated the calculation improperly, and vasp.out file reported the following errors. "{ 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".
vasp.err file reported this errors "malloc(): unsorted double linked list corrupted
malloc(): unsorted double linked list corrupted
corrupted double-linked list
corrupted double-linked list
corrupted double-linked list
corrupted double-linked list
malloc(): unsorted double linked list corrupted".
In addtion, my calculation task input and error report files are attached.
I would like to ask you whether you have encountered this problem, and hope to guide how to solve it. Very anxious, thank you very much for your help!
Recently, when I used VASP to calculate the system containing Cs, I found that VASP could not calculate normally when calculating the surface system containing Cs elements, and always terminated the calculation improperly, and vasp.out file reported the following errors. "{ 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".
vasp.err file reported this errors "malloc(): unsorted double linked list corrupted
malloc(): unsorted double linked list corrupted
corrupted double-linked list
corrupted double-linked list
corrupted double-linked list
corrupted double-linked list
malloc(): unsorted double linked list corrupted".
In addtion, my calculation task input and error report files are attached.
I would like to ask you whether you have encountered this problem, and hope to guide how to solve it. Very anxious, thank you very much for your help!