Just a note: According to the manual, the nspin=4 and the noncolin may be conflicting flags. 'Both should not be present within the same file.'
> 2021/03/12 7:56、Reem Abdel-Kader Ibrahim <[email protected]>のメール: > > nspin=4, > > noncolin= .true. , > nspin = 4 : spin-polarized calculation, noncollinear > (magnetization in generic direction) > DO NOT specify nspin in this case; specify > noncolin=.TRUE. instead https://iopscience.iop.org/article/10.1088/1742-6596/1734/1/012039/pdf best regards kazume NISHIDATE 敬具 西館数芽 [email protected] [email protected] _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
