[Wien] New installation of W2k

2020-05-24 Thread Arthur H. Edwards
I am jsut running a test case with GaN in the zinc blend structure. dstart fails because the case.in1c and case.in2c files are missing. I'v hand copied case.in1_st and case.in2_st into the associated files, and was able to comp0lete3 the run_lapw. I'm just wondering whether I will always have

Re: [Wien] New installation of W2k

2020-05-24 Thread Peter Blaha
No, if you use the recommended scripts / procedure for initialization. You did not write how you did the calculations, so we can't help. w2web / command line ? Which commands Am 25.05.2020 um 05:57 schrieb Arthur H. Edwards: I am jsut running a test case with GaN in the zinc blend