abacus案例测试

[meishengme]

Describe the Testing Issue

abacus计算案例不收敛：101_PW_15_lowz

运用abacustest进行abacus输入文件转换为qe输入文件计算时，转换失败或者qe无法正常运行的情况：

101_PW_15_paw： 运用abacustest将paw类型计算输入文件转换为qe文件时，没有指定赝势文件；

101_PW_blps_pseudopots： qe无法正常读取赝势文件，报错赝势文件为空或错误

101_PW_upf201_uspp_NaCl、802_PW_LT_fcc、803_PW_LT_bcc、806_PW_LT_st、807_PW_LT_bct、810_PW_LT_fco： qe运行报错

105_PW_FD_smearing： 没有转换smearing参数导致qe运行报错

120_PW_KP_MD_NPT、 150_PW_15_CR_VDW3、 120_PW_KP_MD_NVT、 170_PW_MD_1O、170_PW_MD_2O、183_PW_MD_SDFT_10S、183_PW_MD_SDFT_5D10S、 183_PW_MD_SDFT_ALL： 结构优化和分子动力学类型计算，abacustest目前还无法实现abacus输入文件向qe输入文件的转换，无法生成qe的输入文件

Additional Context

No response

Task list for Issue attackers (only for developers)

• [ ] Understand the testing issue described by the developer.
• [ ] Review the specific test case, expected and actual results, and any error messages.
• [ ] Identify the root cause of the test failure or issue.
• [ ] If a possible solution is suggested, evaluate its feasibility and effectiveness.
• [ ] Implement a fix for the test failure or issue, or create a new test case if needed.
• [ ] Verify that the fix resolves the testing issue and the test case passes.
• [ ] Review and update any relevant documentation, such as test plans or user guides.
• [ ] Ensure the testing issue is resolved and close the ticket.
• [ ] Share any lessons learned or best practices with the team to prevent similar issues in the future.