Respected Peter Blaha Sir,
Can you solve my problem about the anti ferromagnetic Cr2S3. Since Cr2S3 is a
semiconductor but after calculation band showing metallic .i have already
change fliping of electron in Cr2S3.inst. but after many types of variation of
flipping of electron in Cr2S3.inst
You have to attach a struct file, not just copy the text, because it
gets completely scrambled.
Anyway, it can't be correct. An anti ferromagnet must have identical
Cr atoms, only the spin is different.
But you have 3 different Cr atoms ?
Am 03.04.2011 10:13, schrieb pankaj srivastava:
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