Thanks alot Mr. kazume for your reply, when i didn't specify nspin, it gave me the same error, as the default value for nspin in noncollinear calculation is 4.
On Thu, Mar 11, 2021, 6:26 PM Kazume NISHIDATE <[email protected]> wrote: > 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
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