[QE-users] band calculation with constrained magnetization

[zahra saadat]

*Dear all,*

I use QE 6.4.1. and I want to* run spin polarized calculation. **the
program stops with below error** for calculating bands.x after nscf*

 *  calculation  :*

* %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
**     from bands : error #         1
**      The bands code with constrained magnetization has not been tested*

*  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%*

*and then if delete tot_magnetization, the error occured:*

  Error in routine iosys (1):
     fixed occupations and lsda need tot_magnetization

that means tot_magnetization is mandatory, so how I can fix this problem?


Best regard
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