如下图所示，在计算一个二维材料的时候的报错，尝试将K点从551改为331后报错消失。在网上找了很久，大...
internal error in subroutine IBZKPT: Reciprocal lattice and k-lattice belong to different class of lattice. Often results are still useful... 先说一下我在网上搜索的一些解决办法: 1。改变K点设置。对于一些低对称性的体系,偶数K点有时会导致这种情况的发生。将偶数K点改为奇数。 2.设置ISYM=0. 3.设...
更奇怪的是,我如果使用其它元素的POTCAR(例如Li+Co+O换成Li+Cu+O),错误竟然没有了. 进一步,我如果...
36 常见问题，除了尝试ISYM或者SYMPERC外，考虑K点是否合理，或者微调一下结构，或者调一下ISMEAR， 继续...
错误1:VERY BAD NEWS! Internal error in subroutine IBZKPT: Reciprocallattice and k-lattice belong todi错误1:VERY BAD NEWS! Internal error in subroutine IBZKPT: Reciprocal lattice and k-lattice belong todifferent class of lattices. Often results are still useful... 48 Internal内部 subroutine...
interface subroutine GUIDToStr(TGUID,GUIDStr,iRet) !DEC$ ATTRIBUTES CVF :: GUIDToStr use f90VBDefs implicit none type(GUID),intent(in)::TGUID character(len=*),intent(out)::GUIDStr integer(HRESULT_KIND),intent(out),optional::iRet end subroutine ...
I get a "xfortcom: Fatal: There has been an internal compiler error (C0000005)." when I compile the following with ifx, but not with ifort. subroutine get_howoft() implicit none interface function **bleep**(msg_) structure /message/ ...
Solution to issue cannot be found in the documentation. I checked the documentation. Issue This is a minimal reproducible example subroutine icemaker() implicit none real(kind=8) :: re re = func(1d0)%re contains complex(kind=8) function ...
In summary, the "co-routine" style of command token processing is more functionally powerful, but is limited in when it can be used when running. The "subroutine" style of command token processing can be used in a much wider range of contexts, but processes all command tokens in advance,...
Difference b/w function and subroutine? Difference between .NET framework versions and ASP.NET versions Difference between ( ) { } [ ] and ; Difference between Boxing/Unboxing & Type Casting Difference between Click and Mouse click? Difference between Console.WriteLine and Debug.WriteLine... differ...