求助用lobster计算时报错，输出只有coop没有cohp请问是什么原因呢

小卷毛儿

如题，报错内容如下：WARNING: You are employing too few bands in your PAW calculation. To reconstruct
WARNING: the Hamilton matrix in the local basis, you need to use at least
WARNING: 205 bands. pCOHP analyses will be disabled. Please check the manual!


WARNING: Cannot use the tetrahedron method for k-space integration and must fall
WARNING: back to Gaussian smearing which can take significantly longer. Make
WARNING: sure to use the tetrahedron method whenever applicable.

我的INCAR和lobsterin 文件如下

choudan

第一个warning是你在VASP静态计算里面设置NBANDS太少，你的INCAR里面NBAND缺少S，这个数值可以从OUTCAR中获得，第二个warning是指在k空间不能使用四面体方法，可以在INCAR里面将ISMEAR设置为-5，然后进行静态计算和lobster计算。你可以试试，我也是初学者。

rll

您好，请问您的问题解决了吗