Re: [Wien] boltztrap patches

2019-07-02 Thread Gavin Abo
The patching of WIEN2k 11.1 basically became WIEN2k 19.1.  So, I recommended installing 19.1.  The changes that have been made to WIEN2k since that old 11.1 version are described on the updates page [1]. I believe BoltzTraP 1.2.5 has become obsolete.  It also seems to have limited or no

[Wien] boltztrap patches

2019-07-01 Thread usuf zai
Hello Sir i have faced problem while linking boltztrap with wien2k(11.1)There is no patch availabe for wien2k11.1 on net. Kindly help me how can i link in this situation Regards Kiran ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at