Dear All, I am trying to restart cp calculations from pwscf restart files. It works very well in spin-unpolarized cases but fails when I need spin polarization. Actually, I tried version 3.2, 4.1.1, 4.2, they all suffer the same problem. I think it is a very nice feature. So, I will be greatly appreciate if anyone can fix this problem or give me some hint about how to make it work. Following is error message from 4.2, hope it is helpful. Thank you in advance
############################# # FROM IOTK LIBRARY, VERSION 1.2.0 # UNRECOVERABLE ERROR (ierr=-1) # ERROR IN: iotk_scan_attr (iotk_attr.spp:453) # CVS Revision: 1.21 # Attribute not found name=UP ############################# Regards -- Jia Chen Dept of Chemistry Princeton University Princeton, NJ 08544
