您好，
最近希望做一些spin texture的计算，我想问下最新的1.4.1是不是有3D spin texture的功能？我有两个问题想请教下：
1. 我在使用vaspkit 653 功能的时候发现出现segmentation fault，使用ulimit -s unlimited之后也还是如此。以下是报错：请问这些一般是什么原因造成的？
2. 对于bulk material的Brillouin Zone，我想知道vaspkit 652 2D spin texture的功能有用吗？这个2D的数据是读取了3D kmesh里什么截面吗？
谢谢！
东升
653 -->> (01) Reading Input Parameters From INCAR File... -->> (02) Reading Structure from POSCAR File... -->> (03) Reading Energy-Levels From EIGENVAL File... -->> (04) Reading Orbital-Weights & Energies From PROCAR File... +---------------------------------------------------------------+ | >>> The Fermi Energy will be set to zero eV <<< | +---------------------------------------------------------------+ -->> (05) Reading Fermi-Energy from DOSCAR File... ================== Band-Index Option ============================ Which band-index do you want to calculate? (1<= & <=160) (e.g., 1 means to select the first band) ------------>> 111 forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source vaspkit 0000000000956C13 Unknown Unknown Unknown libpthread-2.26.s 00002AC57AFA02D0 Unknown Unknown Unknown vaspkit 0000000000804AFC get_spin_texture_ 203 spintexture.F90 vaspkit 0000000000803E2C spintexture_kit_ 31 spintexture.F90 vaspkit 00000000006D912C task_ 379 task.F90 vaspkit 00000000005C7376 mainmenu_ 46 mainmenu.F90 vaspkit 00000000006D9216 task_ 533 task.F90 vaspkit 00000000005C7376 mainmenu_ 46 mainmenu.F90 vaspkit 000000000069F618 MAIN__ 30 main.F90 vaspkit 00000000004085A2 Unknown Unknown Unknown libc-2.26.so 00002AC57B3D434A __libc_start_main Unknown Unknown vaspkit 00000000004084A9 Unknown Unknown Unknown
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发表于 2023-5-9 19:03:19
发表于 2023-5-10 15:29:33
